1 /* MolproLib.c */
2 /**********************************************************************************************************
3 Copyright (c) 2002-2013 Abdul-Rahman Allouche. All rights reserved
4
5 Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated
6 documentation files (the Gabedit), to deal in the Software without restriction, including without limitation
7 the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software,
8 and to permit persons to whom the Software is furnished to do so, subject to the following conditions:
9
10 The above copyright notice and this permission notice shall be included in all copies or substantial portions
11 of the Software.
12
13 THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED
14 TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL
15 THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF
16 CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER
17 DEALINGS IN THE SOFTWARE.
18 ************************************************************************************************************/
19
20 #include "../../Config.h"
21 #include <stdlib.h>
22 #include <string.h>
23 #include <stdio.h>
24 #include <gtk/gtk.h>
25 #include <glib/gi18n.h>
26 #include "../Common/GabeditType.h"
27 #include "../Utils/Constants.h"
28 #include "../Utils/Utils.h"
29 #include "../Molpro/MolproLib.h"
30
31 /********************************************************************************/
get_num_orb(gchar * orb)32 static gint get_num_orb(gchar *orb)
33 {
34 gchar allorb[21] = {'E', 's','p','d','f','g','h','i','j','k','l',
35 'S','P','D','F','G','H','I','J','K','L'};
36 gint i=0;
37
38 for(i=0;i<21;i++)
39 if(orb[0] == allorb[i])
40 return i;
41 return -1;
42 }
43 /********************************************************************************/
get_basis_list(gchar * Symb,gchar * orb,gchar * outfile,gchar * errfile)44 void get_basis_list(gchar* Symb,gchar* orb,gchar* outfile,gchar* errfile)
45 {
46 gchar *allorb[21] = {"ECP", "s","p","d","f","g","h","i","j","k","l",
47 "S","P","D","F","G","H","I","J","K","L"};
48 FILE* fout=fopen(outfile,"w");
49 FILE* ferr=fopen(errfile,"w");
50 gchar *filename = g_strdup_printf("%s/molprobasis",gabedit_directory());
51 FILE* fin = fopen(filename,"r");
52 gchar t[BSIZE];
53 gint numorb1=-1;
54 gint numorb2=-1;
55 gint j=0;
56 gchar* symb = g_malloc(5*sizeof(gchar));
57 gchar* bas = g_malloc(30*sizeof(gchar));
58 gchar* dump = g_malloc(30*sizeof(gchar));
59 gint orbok[21];
60 gint nbas = 0;
61 gchar* orbdown = g_strdup(orb);
62 gchar* orbup = g_strdup(orb);
63
64 lowercase(orbdown);
65 uppercase(orbup);
66
67 if(!fin)
68 {
69 create_molpro_basis_file();
70 fin = fopen(filename,"r");
71 }
72 if(!fin)
73 {
74 fprintf(ferr,_("Sorry the molprobasis is corrupted.\nPlease reinstall gabedit\n"));
75 fclose(ferr);
76 fclose(fout);
77 return;
78 }
79 numorb1 = get_num_orb(orbup);
80 numorb2 = get_num_orb(orbdown);
81
82 /* Debug("numorb1 = %d numorb2 = %d \n",numorb1,numorb2);*/
83 { char* e = fgets(t,BSIZE,fin);} /* number of atoms */
84 while(!feof(fin))
85 {
86 if(!fgets(t,BSIZE,fin))
87 break;
88 if(strstr(t,"Atom") && strstr(t,Symb) && sscanf(t,"%s %s",dump,symb)==2 && strcmp(Symb,symb) ==0 )
89 {
90 if(!fgets(t,BSIZE,fin))
91 break;
92 sscanf(t,"%d",&nbas);
93 for(j=0;j<nbas;j++)
94 {
95 if(!fgets(t,BSIZE,fin))
96 break;
97 /*Debug("t=%s\n",t);*/
98 sscanf(t,"%s %d %d %d %d %d %d %d %d %d %d %d %d %d %d %d %d %d %d %d %d %d",bas,
99 &orbok[0],&orbok[1],&orbok[2],&orbok[3],&orbok[4],&orbok[5],&orbok[6],&orbok[7],&orbok[8],&orbok[9],
100 &orbok[10],&orbok[11],&orbok[12],&orbok[13],&orbok[14],&orbok[15],&orbok[16],&orbok[17],&orbok[18],
101 &orbok[19],&orbok[20]);
102 /* Debug("numorb1 = %d numorb2 = %d \n",numorb1,numorb2);*/
103 if(numorb1>=0 && orbok[numorb1]!=0)
104 {
105 /* Debug("%s %s %s\n",Symb,allorb[numorb1],bas);*/
106 fprintf(fout,"%s %s %s\n",Symb,allorb[numorb1],bas);
107 }
108 if(numorb2>=0 && orbok[numorb2]!=0)
109 fprintf(fout,"%s %s %s\n",Symb,allorb[numorb2],bas);
110 }
111 break;
112 }
113 }
114 /* Debug("End of reading Symb = %s %s \n",Symb,orb);*/
115
116 fclose(ferr);
117 fclose(fin);
118 fclose(fout);
119 }
120 /********************************************************************************/
create_molpro_basis_file()121 gboolean create_molpro_basis_file()
122 {
123 gchar *filename = g_strdup_printf("%s/molprobasis",gabedit_directory());
124 FILE* fout = fopen(filename,"w");
125
126 g_free(filename);
127 if(fout==NULL)
128 {
129 return FALSE;
130 }
131 fprintf(fout,"Natoms = 102\n");
132 fprintf(fout,"Atom H\n");
133 fprintf(fout,"137\n");
134 fprintf(fout,"431G 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
135 fprintf(fout,"631G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
136 fprintf(fout,"SV 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
137 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
138 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
139 fprintf(fout,"Ahlrichs-VDZ 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
140 fprintf(fout,"Ahlrichs-VTZ 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
141 fprintf(fout,"aug-cc-pCV5Z 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
142 fprintf(fout,"ACV5Z 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
143 fprintf(fout,"aug-cc-pCVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
144 fprintf(fout,"ACVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
145 fprintf(fout,"aug-cc-pCVQZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
146 fprintf(fout,"ACVQZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
147 fprintf(fout,"aug-cc-pCVTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
148 fprintf(fout,"ACVTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
149 fprintf(fout,"aug-cc-pV5Z 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
150 fprintf(fout,"AV5Z 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
151 fprintf(fout,"aug-cc-pV6Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
152 fprintf(fout,"AV6Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
153 fprintf(fout,"aug-cc-pVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
154 fprintf(fout,"AVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
155 fprintf(fout,"aug-cc-pVQZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
156 fprintf(fout,"AVQZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
157 fprintf(fout,"aug-cc-pVTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
158 fprintf(fout,"AVTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
159 fprintf(fout,"cc-pCV5Z 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
160 fprintf(fout,"CV5Z 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
161 fprintf(fout,"cc-pCVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
162 fprintf(fout,"CVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
163 fprintf(fout,"cc-pCVQZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
164 fprintf(fout,"CVQZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
165 fprintf(fout,"cc-pCVTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
166 fprintf(fout,"CVTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
167 fprintf(fout,"cc-pV5Z 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
168 fprintf(fout,"V5Z 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
169 fprintf(fout,"cc-pV6Z-old 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
170 fprintf(fout,"V6Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
171 fprintf(fout,"cc-pVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
172 fprintf(fout,"VDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
173 fprintf(fout,"cc-pVQZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
174 fprintf(fout,"VQZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
175 fprintf(fout,"cc-pVTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
176 fprintf(fout,"VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
177 fprintf(fout,"1P 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
178 fprintf(fout,"2P 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
179 fprintf(fout,"3P 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
180 fprintf(fout,"1D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
181 fprintf(fout,"2D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
182 fprintf(fout,"1F 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
183 fprintf(fout,"Chipman 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
184 fprintf(fout,"d-aug-cc-pV5Z 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
185 fprintf(fout,"d-aug-cc-pV6Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
186 fprintf(fout,"d-aug-cc-pVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
187 fprintf(fout,"d-aug-cc-pVQZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
188 fprintf(fout,"d-aug-cc-pVTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
189 fprintf(fout,"DeMon-Cfit 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
190 fprintf(fout,"DGauss-a1-Cfit 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
191 fprintf(fout,"DGauss-a1-Xfit 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
192 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
193 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
194 fprintf(fout,"DZ 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
195 fprintf(fout,"DZP 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
196 fprintf(fout,"Dunning-DZ 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
197 fprintf(fout,"Dunning-DZP 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
198 fprintf(fout,"Dunning-DZP+ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
199 fprintf(fout,"Dunning-SV 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
200 fprintf(fout,"Dunning-SVP 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
201 fprintf(fout,"Dunning-SVP+ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
202 fprintf(fout,"Dunning-TZ 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
203 fprintf(fout,"DZVP2-DFT-orb 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
204 fprintf(fout,"DZVP-DFT-orb 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
205 fprintf(fout,"GAMESS-pVTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
206 fprintf(fout,"GAMESS-VTZ 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
207 fprintf(fout,"STO-3G 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 \n");
208 fprintf(fout,"3-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
209 fprintf(fout,"3-21G* 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 \n");
210 fprintf(fout,"3-21G 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 \n");
211 fprintf(fout,"6-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
212 fprintf(fout,"6-21G* 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 \n");
213 fprintf(fout,"6-21G 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 \n");
214 fprintf(fout,"6-31G** 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
215 fprintf(fout,"6-31G* 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 \n");
216 fprintf(fout,"6-31G 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 \n");
217 fprintf(fout,"6-311G** 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
218 fprintf(fout,"6-311G* 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 \n");
219 fprintf(fout,"6-311G 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 \n");
220 fprintf(fout,"6-31++G 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 \n");
221 fprintf(fout,"6-311++G 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 \n");
222 fprintf(fout,"6-31G1P 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 \n");
223 fprintf(fout,"6-311G1P 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 \n");
224 fprintf(fout,"6-31G2P 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 \n");
225 fprintf(fout,"6-31G3P 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 \n");
226 fprintf(fout,"6-311G2P 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 \n");
227 fprintf(fout,"6-311G3P 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 \n");
228 fprintf(fout,"6-31GD 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
229 fprintf(fout,"6-311GD 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
230 fprintf(fout,"H02 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
231 fprintf(fout,"H03 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
232 fprintf(fout,"H04 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
233 fprintf(fout,"H05 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
234 fprintf(fout,"H06 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
235 fprintf(fout,"H07 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
236 fprintf(fout,"H08 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
237 fprintf(fout,"H09 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
238 fprintf(fout,"H10 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
239 fprintf(fout,"HUZINAGA 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
240 fprintf(fout,"H 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
241 fprintf(fout,"LANL2DZ 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
242 fprintf(fout,"midi 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
243 fprintf(fout,"midi-bang 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
244 fprintf(fout,"mini 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
245 fprintf(fout,"mini-scaled 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
246 fprintf(fout,"MINI 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 \n");
247 fprintf(fout,"pV6Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
248 fprintf(fout,"ROOS 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
249 fprintf(fout,"rydberg1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
250 fprintf(fout,"rydberg2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
251 fprintf(fout,"rydberg3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
252 fprintf(fout,"rydberg4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
253 fprintf(fout,"rydberg5 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
254 fprintf(fout,"SBKJC 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
255 fprintf(fout,"STO-2G 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
256 fprintf(fout,"STO2G 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
257 fprintf(fout,"STO3G 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
258 fprintf(fout,"STO3G* 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
259 fprintf(fout,"STO-6G 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
260 fprintf(fout,"STO6G 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
261 fprintf(fout,"STO6G* 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
262 fprintf(fout,"TZVP-DFT-orb 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
263 fprintf(fout,"V08 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
264 fprintf(fout,"V 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
265 fprintf(fout,"VANDUIJN 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
266 fprintf(fout,"T6 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
267 fprintf(fout,"T 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
268 fprintf(fout,"TAYLOR 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
269 fprintf(fout,"T4 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
270 fprintf(fout,"T3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
271 fprintf(fout,"Atom He\n");
272 fprintf(fout,"90\n");
273 fprintf(fout,"Ahlrichs-Cfit 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
274 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
275 fprintf(fout,"Ahlrichs-VDZ 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
276 fprintf(fout,"Ahlrichs-VTZ 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
277 fprintf(fout,"aug-cc-pCV5Z 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
278 fprintf(fout,"ACV5Z 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
279 fprintf(fout,"aug-cc-pCVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
280 fprintf(fout,"ACVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
281 fprintf(fout,"aug-cc-pCVQZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
282 fprintf(fout,"ACVQZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
283 fprintf(fout,"aug-cc-pCVTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
284 fprintf(fout,"ACVTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
285 fprintf(fout,"aug-cc-pV5Z 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
286 fprintf(fout,"AV5Z 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
287 fprintf(fout,"aug-cc-pVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
288 fprintf(fout,"AVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
289 fprintf(fout,"aug-cc-pVQZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
290 fprintf(fout,"AVQZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
291 fprintf(fout,"aug-cc-pVTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
292 fprintf(fout,"AVTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
293 fprintf(fout,"cc-pCV5Z 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
294 fprintf(fout,"CV5Z 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
295 fprintf(fout,"cc-pCVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
296 fprintf(fout,"CVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
297 fprintf(fout,"cc-pCVQZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
298 fprintf(fout,"CVQZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
299 fprintf(fout,"cc-pCVTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
300 fprintf(fout,"CVTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
301 fprintf(fout,"cc-pV5Z 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
302 fprintf(fout,"V5Z 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
303 fprintf(fout,"cc-pVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
304 fprintf(fout,"VDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
305 fprintf(fout,"cc-pVQZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
306 fprintf(fout,"VQZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
307 fprintf(fout,"cc-pVTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
308 fprintf(fout,"VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
309 fprintf(fout,"d-aug-cc-pV5Z 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
310 fprintf(fout,"d-aug-cc-pVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
311 fprintf(fout,"d-aug-cc-pVQZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
312 fprintf(fout,"d-aug-cc-pVTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
313 fprintf(fout,"DeMon-Cfit 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
314 fprintf(fout,"DGauss-a1-Cfit 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
315 fprintf(fout,"DGauss-a1-Xfit 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
316 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
317 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
318 fprintf(fout,"DZVP2-DFT-orb 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
319 fprintf(fout,"DZVP-DFT-orb 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
320 fprintf(fout,"STO-3G 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 \n");
321 fprintf(fout,"3-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
322 fprintf(fout,"3-21G* 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 \n");
323 fprintf(fout,"3-21G 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 \n");
324 fprintf(fout,"6-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
325 fprintf(fout,"6-21G* 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 \n");
326 fprintf(fout,"6-21G 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 \n");
327 fprintf(fout,"6-31G** 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
328 fprintf(fout,"6-31G* 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 \n");
329 fprintf(fout,"6-31G 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 \n");
330 fprintf(fout,"6-311G** 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
331 fprintf(fout,"6-311G* 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 \n");
332 fprintf(fout,"6-311G 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 \n");
333 fprintf(fout,"6-31G1P 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 \n");
334 fprintf(fout,"6-311G1P 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 \n");
335 fprintf(fout,"6-31G2P 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 \n");
336 fprintf(fout,"6-31G3P 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 \n");
337 fprintf(fout,"6-311G2P 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 \n");
338 fprintf(fout,"6-311G3P 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 \n");
339 fprintf(fout,"6-31GD 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
340 fprintf(fout,"6-311GD 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
341 fprintf(fout,"H03 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
342 fprintf(fout,"H04 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
343 fprintf(fout,"H05 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
344 fprintf(fout,"H06 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
345 fprintf(fout,"H07 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
346 fprintf(fout,"H08 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
347 fprintf(fout,"H09 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
348 fprintf(fout,"H10 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
349 fprintf(fout,"HUZINAGA 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
350 fprintf(fout,"H 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
351 fprintf(fout,"midi 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
352 fprintf(fout,"mini 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
353 fprintf(fout,"mini-scaled 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
354 fprintf(fout,"ROOS 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
355 fprintf(fout,"SBKJC 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
356 fprintf(fout,"STO-2G 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
357 fprintf(fout,"STO2G 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
358 fprintf(fout,"STO3G 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
359 fprintf(fout,"STO3G* 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
360 fprintf(fout,"STO-6G 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
361 fprintf(fout,"STO6G 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
362 fprintf(fout,"STO6G* 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
363 fprintf(fout,"Atom Li\n");
364 fprintf(fout,"79\n");
365 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
366 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
367 fprintf(fout,"Ahlrichs-TZv 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
368 fprintf(fout,"Ahlrichs-VDZ 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
369 fprintf(fout,"Ahlrichs-VTZ 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
370 fprintf(fout,"VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
371 fprintf(fout,"cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
372 fprintf(fout,"VTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
373 fprintf(fout,"cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
374 fprintf(fout,"VQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
375 fprintf(fout,"cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
376 fprintf(fout,"cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
377 fprintf(fout,"V5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
378 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
379 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
380 fprintf(fout,"DGauss-a1-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
381 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
382 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
383 fprintf(fout,"Dunning-DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
384 fprintf(fout,"Dunning-DZP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
385 fprintf(fout,"Dunning-SV 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
386 fprintf(fout,"Dunning-SVP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
387 fprintf(fout,"Dunning-SVP+ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
388 fprintf(fout,"Dunning-TZ 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
389 fprintf(fout,"DZVP2-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
390 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
391 fprintf(fout,"STO-3G 0 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
392 fprintf(fout,"3-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
393 fprintf(fout,"3-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
394 fprintf(fout,"3-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
395 fprintf(fout,"6-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
396 fprintf(fout,"6-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
397 fprintf(fout,"6-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
398 fprintf(fout,"6-31G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
399 fprintf(fout,"6-31G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
400 fprintf(fout,"6-31G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
401 fprintf(fout,"6-311G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
402 fprintf(fout,"6-311G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
403 fprintf(fout,"6-311G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
404 fprintf(fout,"6-31++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
405 fprintf(fout,"6-31+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
406 fprintf(fout,"6-311++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
407 fprintf(fout,"6-311+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
408 fprintf(fout,"6-31G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
409 fprintf(fout,"6-311G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
410 fprintf(fout,"6-31G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
411 fprintf(fout,"6-311G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
412 fprintf(fout,"6-31G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
413 fprintf(fout,"6-311G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
414 fprintf(fout,"6-31GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
415 fprintf(fout,"6-311GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
416 fprintf(fout,"LI_3-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
417 fprintf(fout,"H07 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
418 fprintf(fout,"H08 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
419 fprintf(fout,"H09 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
420 fprintf(fout,"H10 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
421 fprintf(fout,"H11 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
422 fprintf(fout,"HUZINAGA 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
423 fprintf(fout,"H 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
424 fprintf(fout,"LANL2DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
425 fprintf(fout,"midi 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
426 fprintf(fout,"mini 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
427 fprintf(fout,"mini-scaled 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
428 fprintf(fout,"Partridge1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
429 fprintf(fout,"Partridge2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
430 fprintf(fout,"Partridge3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
431 fprintf(fout,"ECP2SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
432 fprintf(fout,"ROOS 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
433 fprintf(fout,"rydberg1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
434 fprintf(fout,"rydberg2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
435 fprintf(fout,"rydberg3 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
436 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
437 fprintf(fout,"STO-2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
438 fprintf(fout,"STO2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
439 fprintf(fout,"STO3G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
440 fprintf(fout,"STO3G* 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
441 fprintf(fout,"STO-6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
442 fprintf(fout,"STO6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
443 fprintf(fout,"STO6G* 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
444 fprintf(fout,"Atom Be\n");
445 fprintf(fout,"78\n");
446 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
447 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
448 fprintf(fout,"Ahlrichs-TZv 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
449 fprintf(fout,"Ahlrichs-VDZ 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
450 fprintf(fout,"Ahlrichs-VTZ 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
451 fprintf(fout,"VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
452 fprintf(fout,"cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
453 fprintf(fout,"VTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
454 fprintf(fout,"cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
455 fprintf(fout,"VQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
456 fprintf(fout,"cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
457 fprintf(fout,"V5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
458 fprintf(fout,"cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
459 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
460 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
461 fprintf(fout,"DGauss-a1-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
462 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
463 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
464 fprintf(fout,"Dunning-SV 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
465 fprintf(fout,"Dunning-SVP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
466 fprintf(fout,"Dunning-SVP+ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
467 fprintf(fout,"Dunning-TZ 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
468 fprintf(fout,"DZVP2-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
469 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
470 fprintf(fout,"GAMESS-pVTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
471 fprintf(fout,"GAMESS-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
472 fprintf(fout,"STO-3G 0 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
473 fprintf(fout,"3-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
474 fprintf(fout,"3-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
475 fprintf(fout,"3-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
476 fprintf(fout,"6-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
477 fprintf(fout,"6-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
478 fprintf(fout,"6-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
479 fprintf(fout,"6-31G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
480 fprintf(fout,"6-31G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
481 fprintf(fout,"6-31G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
482 fprintf(fout,"6-311G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
483 fprintf(fout,"6-311G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
484 fprintf(fout,"6-311G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
485 fprintf(fout,"6-31++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
486 fprintf(fout,"6-31+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
487 fprintf(fout,"6-311++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
488 fprintf(fout,"6-311+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
489 fprintf(fout,"6-31G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
490 fprintf(fout,"6-311G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
491 fprintf(fout,"6-31G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
492 fprintf(fout,"6-31G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
493 fprintf(fout,"6-311G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
494 fprintf(fout,"6-311G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
495 fprintf(fout,"6-31GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
496 fprintf(fout,"6-311GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
497 fprintf(fout,"H07 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
498 fprintf(fout,"H08 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
499 fprintf(fout,"H09 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
500 fprintf(fout,"H10 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
501 fprintf(fout,"H11 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
502 fprintf(fout,"HUZINAGA 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
503 fprintf(fout,"H 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
504 fprintf(fout,"LANL2DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
505 fprintf(fout,"midi 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
506 fprintf(fout,"mini 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
507 fprintf(fout,"mini-scaled 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
508 fprintf(fout,"Partridge1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
509 fprintf(fout,"Partridge2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
510 fprintf(fout,"Partridge3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
511 fprintf(fout,"ECP2SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
512 fprintf(fout,"ROOS 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
513 fprintf(fout,"rydberg1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
514 fprintf(fout,"rydberg2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
515 fprintf(fout,"rydberg3 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
516 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
517 fprintf(fout,"STO-2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
518 fprintf(fout,"STO2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
519 fprintf(fout,"STO3G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
520 fprintf(fout,"STO3G* 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
521 fprintf(fout,"STO-6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
522 fprintf(fout,"STO6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
523 fprintf(fout,"STO6G* 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
524 fprintf(fout,"Atom B\n");
525 fprintf(fout,"129\n");
526 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
527 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
528 fprintf(fout,"Ahlrichs-TZv 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
529 fprintf(fout,"Ahlrichs-VDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
530 fprintf(fout,"Ahlrichs-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
531 fprintf(fout,"aug-cc-pCV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
532 fprintf(fout,"ACV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
533 fprintf(fout,"aug-cc-pCVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
534 fprintf(fout,"ACVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
535 fprintf(fout,"aug-cc-pCVQZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
536 fprintf(fout,"ACVQZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
537 fprintf(fout,"aug-cc-pCVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
538 fprintf(fout,"ACVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
539 fprintf(fout,"aug-cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
540 fprintf(fout,"AV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
541 fprintf(fout,"aug-cc-pV6Z 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
542 fprintf(fout,"AV6Z 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
543 fprintf(fout,"aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
544 fprintf(fout,"AVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
545 fprintf(fout,"aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
546 fprintf(fout,"AVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
547 fprintf(fout,"aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
548 fprintf(fout,"AVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
549 fprintf(fout,"cc-pCV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
550 fprintf(fout,"CV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
551 fprintf(fout,"cc-pCVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
552 fprintf(fout,"CVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
553 fprintf(fout,"cc-pCVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
554 fprintf(fout,"CVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
555 fprintf(fout,"cc-pCVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
556 fprintf(fout,"CVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
557 fprintf(fout,"cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
558 fprintf(fout,"V5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
559 fprintf(fout,"cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
560 fprintf(fout,"VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
561 fprintf(fout,"cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
562 fprintf(fout,"VQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
563 fprintf(fout,"cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
564 fprintf(fout,"VTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
565 fprintf(fout,"4D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
566 fprintf(fout,"3F 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
567 fprintf(fout,"2G 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
568 fprintf(fout,"1H 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
569 fprintf(fout,"1D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
570 fprintf(fout,"2D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
571 fprintf(fout,"3D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
572 fprintf(fout,"1F 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
573 fprintf(fout,"2F 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
574 fprintf(fout,"1G 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
575 fprintf(fout,"Chipman 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
576 fprintf(fout,"d-aug-cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
577 fprintf(fout,"d-aug-cc-pV6Z 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
578 fprintf(fout,"d-aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
579 fprintf(fout,"d-aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
580 fprintf(fout,"d-aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
581 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
582 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
583 fprintf(fout,"DGauss-a1-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
584 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
585 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
586 fprintf(fout,"DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
587 fprintf(fout,"DZP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
588 fprintf(fout,"Dunning-DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
589 fprintf(fout,"Dunning-DZP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
590 fprintf(fout,"Dunning-DZP+ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
591 fprintf(fout,"Dunning-SV 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
592 fprintf(fout,"Dunning-SVP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
593 fprintf(fout,"Dunning-SVP+ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
594 fprintf(fout,"Dunning-TZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
595 fprintf(fout,"DZVP2-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
596 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
597 fprintf(fout,"GAMESS-pVTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
598 fprintf(fout,"GAMESS-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
599 fprintf(fout,"STO-3G 0 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
600 fprintf(fout,"3-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
601 fprintf(fout,"3-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
602 fprintf(fout,"3-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
603 fprintf(fout,"6-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
604 fprintf(fout,"6-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
605 fprintf(fout,"6-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
606 fprintf(fout,"6-31G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
607 fprintf(fout,"6-31G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
608 fprintf(fout,"6-31G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
609 fprintf(fout,"6-311G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
610 fprintf(fout,"6-311G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
611 fprintf(fout,"6-311G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
612 fprintf(fout,"6-31++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
613 fprintf(fout,"6-31+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
614 fprintf(fout,"6-311++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
615 fprintf(fout,"6-311+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
616 fprintf(fout,"6-31G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
617 fprintf(fout,"6-311G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
618 fprintf(fout,"6-31G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
619 fprintf(fout,"6-31G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
620 fprintf(fout,"6-311G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
621 fprintf(fout,"6-311G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
622 fprintf(fout,"6-31GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
623 fprintf(fout,"6-311GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
624 fprintf(fout,"H0603 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
625 fprintf(fout,"H0703 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
626 fprintf(fout,"H0804 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
627 fprintf(fout,"H0905 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
628 fprintf(fout,"H1006 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
629 fprintf(fout,"H1107 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
630 fprintf(fout,"HUZINAGA 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
631 fprintf(fout,"H 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
632 fprintf(fout,"LANL2DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
633 fprintf(fout,"midi 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
634 fprintf(fout,"mini 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
635 fprintf(fout,"mini-scaled 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
636 fprintf(fout,"Partridge1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
637 fprintf(fout,"Partridge2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
638 fprintf(fout,"Partridge3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
639 fprintf(fout,"ECP2SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
640 fprintf(fout,"ECP2MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
641 fprintf(fout,"ROOS 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
642 fprintf(fout,"rydberg1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
643 fprintf(fout,"rydberg2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
644 fprintf(fout,"rydberg3 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
645 fprintf(fout,"rydberg4 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
646 fprintf(fout,"rydberg5 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
647 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
648 fprintf(fout,"STO-2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
649 fprintf(fout,"STO2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
650 fprintf(fout,"STO3G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
651 fprintf(fout,"STO3G* 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
652 fprintf(fout,"STO-6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
653 fprintf(fout,"STO6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
654 fprintf(fout,"STO6G* 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
655 fprintf(fout,"Atom C\n");
656 fprintf(fout,"145\n");
657 fprintf(fout,"631G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
658 fprintf(fout,"SV 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
659 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
660 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
661 fprintf(fout,"Ahlrichs-TZv 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
662 fprintf(fout,"Ahlrichs-VDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
663 fprintf(fout,"Ahlrichs-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
664 fprintf(fout,"aug-cc-pCV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
665 fprintf(fout,"ACV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
666 fprintf(fout,"aug-cc-pCVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
667 fprintf(fout,"ACVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
668 fprintf(fout,"aug-cc-pCVQZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
669 fprintf(fout,"ACVQZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
670 fprintf(fout,"aug-cc-pCVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
671 fprintf(fout,"ACVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
672 fprintf(fout,"aug-cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
673 fprintf(fout,"AV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
674 fprintf(fout,"aug-cc-pV6Z 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
675 fprintf(fout,"AV6Z 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
676 fprintf(fout,"aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
677 fprintf(fout,"AVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
678 fprintf(fout,"aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
679 fprintf(fout,"AVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
680 fprintf(fout,"aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
681 fprintf(fout,"AVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
682 fprintf(fout,"cc-pCV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
683 fprintf(fout,"CV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
684 fprintf(fout,"cc-pCVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
685 fprintf(fout,"CVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
686 fprintf(fout,"cc-pCVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
687 fprintf(fout,"CVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
688 fprintf(fout,"cc-pCVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
689 fprintf(fout,"CVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
690 fprintf(fout,"cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
691 fprintf(fout,"V5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
692 fprintf(fout,"cc-pV6Z-old 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
693 fprintf(fout,"V6Z 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
694 fprintf(fout,"cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
695 fprintf(fout,"VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
696 fprintf(fout,"cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
697 fprintf(fout,"VQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
698 fprintf(fout,"cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
699 fprintf(fout,"VTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
700 fprintf(fout,"4D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
701 fprintf(fout,"3F 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
702 fprintf(fout,"2G 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
703 fprintf(fout,"1H 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
704 fprintf(fout,"1D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
705 fprintf(fout,"2D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
706 fprintf(fout,"3D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
707 fprintf(fout,"1F 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
708 fprintf(fout,"2F 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
709 fprintf(fout,"1G 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
710 fprintf(fout,"Chipman 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
711 fprintf(fout,"d-aug-cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
712 fprintf(fout,"d-aug-cc-pV6Z 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
713 fprintf(fout,"d-aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
714 fprintf(fout,"d-aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
715 fprintf(fout,"d-aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
716 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
717 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
718 fprintf(fout,"DGauss-a1-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
719 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
720 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
721 fprintf(fout,"DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
722 fprintf(fout,"DZP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
723 fprintf(fout,"Dunning-DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
724 fprintf(fout,"Dunning-DZP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
725 fprintf(fout,"Dunning-DZP+ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
726 fprintf(fout,"Dunning-SV 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
727 fprintf(fout,"Dunning-SVP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
728 fprintf(fout,"Dunning-SVP+ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
729 fprintf(fout,"Dunning-TZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
730 fprintf(fout,"DZVP2-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
731 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
732 fprintf(fout,"GAMESS-pVTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
733 fprintf(fout,"GAMESS-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
734 fprintf(fout,"STO-3G 0 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
735 fprintf(fout,"3-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
736 fprintf(fout,"3-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
737 fprintf(fout,"3-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
738 fprintf(fout,"6-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
739 fprintf(fout,"6-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
740 fprintf(fout,"6-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
741 fprintf(fout,"6-31G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
742 fprintf(fout,"6-31G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
743 fprintf(fout,"6-31G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
744 fprintf(fout,"6-311G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
745 fprintf(fout,"6-311G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
746 fprintf(fout,"6-311G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
747 fprintf(fout,"6-31++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
748 fprintf(fout,"6-31+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
749 fprintf(fout,"6-311++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
750 fprintf(fout,"6-311+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
751 fprintf(fout,"6-31G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
752 fprintf(fout,"6-311G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
753 fprintf(fout,"6-31G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
754 fprintf(fout,"6-31G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
755 fprintf(fout,"6-311G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
756 fprintf(fout,"6-311G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
757 fprintf(fout,"6-31GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
758 fprintf(fout,"6-311GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
759 fprintf(fout,"H0603 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
760 fprintf(fout,"H0703 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
761 fprintf(fout,"H0804 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
762 fprintf(fout,"H0905 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
763 fprintf(fout,"H1006 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
764 fprintf(fout,"H1107 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
765 fprintf(fout,"HUZINAGA 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
766 fprintf(fout,"H 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
767 fprintf(fout,"LANL2DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
768 fprintf(fout,"midi 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
769 fprintf(fout,"midi-bang 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
770 fprintf(fout,"mini 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
771 fprintf(fout,"mini-scaled 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
772 fprintf(fout,"DZ73 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
773 fprintf(fout,"Partridge1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
774 fprintf(fout,"Partridge2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
775 fprintf(fout,"Partridge3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
776 fprintf(fout,"ECP2SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
777 fprintf(fout,"ECP2MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
778 fprintf(fout,"pV6Z 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
779 fprintf(fout,"ROOS 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
780 fprintf(fout,"rydberg1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
781 fprintf(fout,"rydberg2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
782 fprintf(fout,"rydberg3 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
783 fprintf(fout,"rydberg4 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
784 fprintf(fout,"rydberg5 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
785 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
786 fprintf(fout,"STO-2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
787 fprintf(fout,"STO2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
788 fprintf(fout,"STO3G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
789 fprintf(fout,"STO3G* 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
790 fprintf(fout,"STO-6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
791 fprintf(fout,"STO6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
792 fprintf(fout,"STO6G* 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
793 fprintf(fout,"TZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
794 fprintf(fout,"V1308 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
795 fprintf(fout,"V 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
796 fprintf(fout,"VANDUIJN 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
797 fprintf(fout,"T6 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
798 fprintf(fout,"T 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
799 fprintf(fout,"TAYLOR 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
800 fprintf(fout,"T4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
801 fprintf(fout,"T2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
802 fprintf(fout,"Atom N\n");
803 fprintf(fout,"143\n");
804 fprintf(fout,"631G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
805 fprintf(fout,"SV 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
806 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
807 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
808 fprintf(fout,"Ahlrichs-TZv 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
809 fprintf(fout,"Ahlrichs-VDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
810 fprintf(fout,"Ahlrichs-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
811 fprintf(fout,"aug-cc-pCV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
812 fprintf(fout,"ACV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
813 fprintf(fout,"aug-cc-pCVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
814 fprintf(fout,"ACVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
815 fprintf(fout,"aug-cc-pCVQZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
816 fprintf(fout,"ACVQZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
817 fprintf(fout,"aug-cc-pCVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
818 fprintf(fout,"ACVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
819 fprintf(fout,"aug-cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
820 fprintf(fout,"AV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
821 fprintf(fout,"aug-cc-pV6Z 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
822 fprintf(fout,"AV6Z 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
823 fprintf(fout,"aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
824 fprintf(fout,"AVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
825 fprintf(fout,"aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
826 fprintf(fout,"AVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
827 fprintf(fout,"aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
828 fprintf(fout,"AVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
829 fprintf(fout,"cc-pCV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
830 fprintf(fout,"CV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
831 fprintf(fout,"cc-pCVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
832 fprintf(fout,"CVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
833 fprintf(fout,"cc-pCVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
834 fprintf(fout,"CVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
835 fprintf(fout,"cc-pCVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
836 fprintf(fout,"CVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
837 fprintf(fout,"cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
838 fprintf(fout,"V5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
839 fprintf(fout,"cc-pV6Z-old 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
840 fprintf(fout,"V6Z 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
841 fprintf(fout,"cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
842 fprintf(fout,"VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
843 fprintf(fout,"cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
844 fprintf(fout,"VQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
845 fprintf(fout,"cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
846 fprintf(fout,"VTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
847 fprintf(fout,"4D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
848 fprintf(fout,"3F 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
849 fprintf(fout,"2G 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
850 fprintf(fout,"1H 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
851 fprintf(fout,"1D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
852 fprintf(fout,"2D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
853 fprintf(fout,"3D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
854 fprintf(fout,"1F 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
855 fprintf(fout,"2F 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
856 fprintf(fout,"1G 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
857 fprintf(fout,"Chipman 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
858 fprintf(fout,"d-aug-cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
859 fprintf(fout,"d-aug-cc-pV6Z 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
860 fprintf(fout,"d-aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
861 fprintf(fout,"d-aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
862 fprintf(fout,"d-aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
863 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
864 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
865 fprintf(fout,"DGauss-a1-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
866 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
867 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
868 fprintf(fout,"DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
869 fprintf(fout,"DZP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
870 fprintf(fout,"Dunning-DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
871 fprintf(fout,"Dunning-DZP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
872 fprintf(fout,"Dunning-DZP+ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
873 fprintf(fout,"Dunning-SV 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
874 fprintf(fout,"Dunning-SVP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
875 fprintf(fout,"Dunning-SVP+ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
876 fprintf(fout,"Dunning-TZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
877 fprintf(fout,"DZVP2-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
878 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
879 fprintf(fout,"GAMESS-pVTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
880 fprintf(fout,"GAMESS-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
881 fprintf(fout,"STO-3G 0 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
882 fprintf(fout,"3-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
883 fprintf(fout,"3-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
884 fprintf(fout,"3-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
885 fprintf(fout,"6-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
886 fprintf(fout,"6-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
887 fprintf(fout,"6-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
888 fprintf(fout,"6-31G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
889 fprintf(fout,"6-31G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
890 fprintf(fout,"6-31G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
891 fprintf(fout,"6-311G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
892 fprintf(fout,"6-311G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
893 fprintf(fout,"6-311G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
894 fprintf(fout,"6-31++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
895 fprintf(fout,"6-31+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
896 fprintf(fout,"6-311++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
897 fprintf(fout,"6-311+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
898 fprintf(fout,"6-31G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
899 fprintf(fout,"6-311G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
900 fprintf(fout,"6-31G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
901 fprintf(fout,"6-31G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
902 fprintf(fout,"6-311G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
903 fprintf(fout,"6-311G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
904 fprintf(fout,"6-31GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
905 fprintf(fout,"6-311GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
906 fprintf(fout,"H0703 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
907 fprintf(fout,"H0804 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
908 fprintf(fout,"H0905 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
909 fprintf(fout,"H1006 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
910 fprintf(fout,"H1107 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
911 fprintf(fout,"HUZINAGA 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
912 fprintf(fout,"H 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
913 fprintf(fout,"LANL2DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
914 fprintf(fout,"midi 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
915 fprintf(fout,"midi-bang 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
916 fprintf(fout,"mini 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
917 fprintf(fout,"mini-scaled 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
918 fprintf(fout,"Partridge1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
919 fprintf(fout,"Partridge2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
920 fprintf(fout,"Partridge3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
921 fprintf(fout,"ECP2SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
922 fprintf(fout,"ECP2MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
923 fprintf(fout,"pV6Z 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
924 fprintf(fout,"ROOS 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 \n");
925 fprintf(fout,"rydberg1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
926 fprintf(fout,"rydberg2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
927 fprintf(fout,"rydberg3 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
928 fprintf(fout,"rydberg4 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
929 fprintf(fout,"rydberg5 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
930 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
931 fprintf(fout,"STO-2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
932 fprintf(fout,"STO2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
933 fprintf(fout,"STO3G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
934 fprintf(fout,"STO3G* 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
935 fprintf(fout,"STO-6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
936 fprintf(fout,"STO6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
937 fprintf(fout,"STO6G* 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
938 fprintf(fout,"TZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
939 fprintf(fout,"V1308 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
940 fprintf(fout,"V 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
941 fprintf(fout,"VANDUIJN 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
942 fprintf(fout,"T6 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
943 fprintf(fout,"T 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
944 fprintf(fout,"TAYLOR 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
945 fprintf(fout,"T4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
946 fprintf(fout,"T2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
947 fprintf(fout,"Atom O\n");
948 fprintf(fout,"143\n");
949 fprintf(fout,"631G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
950 fprintf(fout,"SV 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
951 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
952 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
953 fprintf(fout,"Ahlrichs-TZv 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
954 fprintf(fout,"Ahlrichs-VDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
955 fprintf(fout,"Ahlrichs-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
956 fprintf(fout,"aug-cc-pCV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
957 fprintf(fout,"ACV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
958 fprintf(fout,"aug-cc-pCVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
959 fprintf(fout,"ACVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
960 fprintf(fout,"aug-cc-pCVQZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
961 fprintf(fout,"ACVQZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
962 fprintf(fout,"aug-cc-pCVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
963 fprintf(fout,"ACVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
964 fprintf(fout,"aug-cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
965 fprintf(fout,"AV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
966 fprintf(fout,"aug-cc-pV6Z 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
967 fprintf(fout,"AV6Z 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
968 fprintf(fout,"aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
969 fprintf(fout,"AVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
970 fprintf(fout,"aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
971 fprintf(fout,"AVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
972 fprintf(fout,"aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
973 fprintf(fout,"AVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
974 fprintf(fout,"cc-pCV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
975 fprintf(fout,"CV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
976 fprintf(fout,"cc-pCVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
977 fprintf(fout,"CVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
978 fprintf(fout,"cc-pCVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
979 fprintf(fout,"CVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
980 fprintf(fout,"cc-pCVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
981 fprintf(fout,"CVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
982 fprintf(fout,"cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
983 fprintf(fout,"V5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
984 fprintf(fout,"cc-pV6Z-old 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
985 fprintf(fout,"V6Z 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
986 fprintf(fout,"cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
987 fprintf(fout,"VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
988 fprintf(fout,"cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
989 fprintf(fout,"VQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
990 fprintf(fout,"cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
991 fprintf(fout,"VTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
992 fprintf(fout,"4D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
993 fprintf(fout,"3F 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
994 fprintf(fout,"2G 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
995 fprintf(fout,"1H 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
996 fprintf(fout,"1D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
997 fprintf(fout,"2D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
998 fprintf(fout,"3D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
999 fprintf(fout,"1F 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1000 fprintf(fout,"2F 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1001 fprintf(fout,"1G 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1002 fprintf(fout,"Chipman 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1003 fprintf(fout,"d-aug-cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1004 fprintf(fout,"d-aug-cc-pV6Z 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1005 fprintf(fout,"d-aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1006 fprintf(fout,"d-aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1007 fprintf(fout,"d-aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1008 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1009 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1010 fprintf(fout,"DGauss-a1-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1011 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1012 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1013 fprintf(fout,"DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1014 fprintf(fout,"DZP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1015 fprintf(fout,"Dunning-DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1016 fprintf(fout,"Dunning-DZP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1017 fprintf(fout,"Dunning-DZP+ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1018 fprintf(fout,"Dunning-SV 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1019 fprintf(fout,"Dunning-SVP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1020 fprintf(fout,"Dunning-SVP+ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1021 fprintf(fout,"Dunning-TZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1022 fprintf(fout,"DZVP2-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1023 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1024 fprintf(fout,"GAMESS-pVTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1025 fprintf(fout,"GAMESS-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1026 fprintf(fout,"STO-3G 0 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1027 fprintf(fout,"3-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1028 fprintf(fout,"3-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1029 fprintf(fout,"3-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1030 fprintf(fout,"6-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1031 fprintf(fout,"6-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1032 fprintf(fout,"6-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1033 fprintf(fout,"6-31G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1034 fprintf(fout,"6-31G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1035 fprintf(fout,"6-31G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1036 fprintf(fout,"6-311G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1037 fprintf(fout,"6-311G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1038 fprintf(fout,"6-311G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1039 fprintf(fout,"6-31++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1040 fprintf(fout,"6-31+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1041 fprintf(fout,"6-311++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1042 fprintf(fout,"6-311+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1043 fprintf(fout,"6-31G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1044 fprintf(fout,"6-311G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1045 fprintf(fout,"6-31G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1046 fprintf(fout,"6-31G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1047 fprintf(fout,"6-311G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1048 fprintf(fout,"6-311G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1049 fprintf(fout,"6-31GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
1050 fprintf(fout,"6-311GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
1051 fprintf(fout,"H0703 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1052 fprintf(fout,"H0804 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1053 fprintf(fout,"H0905 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1054 fprintf(fout,"H1006 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1055 fprintf(fout,"H1107 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1056 fprintf(fout,"HUZINAGA 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1057 fprintf(fout,"H 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1058 fprintf(fout,"LANL2DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1059 fprintf(fout,"midi 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1060 fprintf(fout,"midi-bang 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1061 fprintf(fout,"mini 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1062 fprintf(fout,"mini-scaled 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1063 fprintf(fout,"Partridge1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1064 fprintf(fout,"Partridge2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1065 fprintf(fout,"Partridge3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1066 fprintf(fout,"ECP2SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1067 fprintf(fout,"ECP2MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1068 fprintf(fout,"pV6Z 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1069 fprintf(fout,"ROOS 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1070 fprintf(fout,"rydberg1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1071 fprintf(fout,"rydberg2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1072 fprintf(fout,"rydberg3 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1073 fprintf(fout,"rydberg4 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1074 fprintf(fout,"rydberg5 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1075 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1076 fprintf(fout,"STO-2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1077 fprintf(fout,"STO2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1078 fprintf(fout,"STO3G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1079 fprintf(fout,"STO3G* 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1080 fprintf(fout,"STO-6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1081 fprintf(fout,"STO6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1082 fprintf(fout,"STO6G* 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1083 fprintf(fout,"TZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1084 fprintf(fout,"V1308 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1085 fprintf(fout,"V 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1086 fprintf(fout,"VANDUIJN 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1087 fprintf(fout,"T6 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1088 fprintf(fout,"T 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1089 fprintf(fout,"TAYLOR 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1090 fprintf(fout,"T4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1091 fprintf(fout,"T2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1092 fprintf(fout,"Atom F\n");
1093 fprintf(fout,"151\n");
1094 fprintf(fout,"631G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1095 fprintf(fout,"SV 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1096 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1097 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1098 fprintf(fout,"Ahlrichs-TZv 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1099 fprintf(fout,"Ahlrichs-VDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1100 fprintf(fout,"Ahlrichs-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1101 fprintf(fout,"aug-cc-pCV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1102 fprintf(fout,"ACV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1103 fprintf(fout,"aug-cc-pCVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1104 fprintf(fout,"ACVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1105 fprintf(fout,"aug-cc-pCVQZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1106 fprintf(fout,"ACVQZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1107 fprintf(fout,"aug-cc-pCVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1108 fprintf(fout,"ACVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1109 fprintf(fout,"aug-cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1110 fprintf(fout,"AV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1111 fprintf(fout,"aug-cc-pV6Z 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1112 fprintf(fout,"AV6Z 0 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1113 fprintf(fout,"aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1114 fprintf(fout,"AVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1115 fprintf(fout,"aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1116 fprintf(fout,"AVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1117 fprintf(fout,"aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1118 fprintf(fout,"AVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1119 fprintf(fout,"cc-pCV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1120 fprintf(fout,"CV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1121 fprintf(fout,"cc-pCVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1122 fprintf(fout,"CVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1123 fprintf(fout,"cc-pCVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1124 fprintf(fout,"CVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1125 fprintf(fout,"cc-pCVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1126 fprintf(fout,"CVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1127 fprintf(fout,"cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1128 fprintf(fout,"V5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1129 fprintf(fout,"cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1130 fprintf(fout,"VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1131 fprintf(fout,"cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1132 fprintf(fout,"VQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1133 fprintf(fout,"cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1134 fprintf(fout,"VTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1135 fprintf(fout,"VDZ+ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1136 fprintf(fout,"1DM 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1137 fprintf(fout,"2DM 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1138 fprintf(fout,"3DM 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1139 fprintf(fout,"1FM 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1140 fprintf(fout,"2FM 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1141 fprintf(fout,"VTZ+ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1142 fprintf(fout,"1DMT 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1143 fprintf(fout,"2DMT 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1144 fprintf(fout,"3DMT 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1145 fprintf(fout,"1FMT 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1146 fprintf(fout,"2FMT 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1147 fprintf(fout,"4D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1148 fprintf(fout,"3F 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1149 fprintf(fout,"2G 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1150 fprintf(fout,"1H 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1151 fprintf(fout,"1D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1152 fprintf(fout,"2D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1153 fprintf(fout,"3D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1154 fprintf(fout,"1F 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1155 fprintf(fout,"2F 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1156 fprintf(fout,"1G 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1157 fprintf(fout,"Chipman 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1158 fprintf(fout,"d-aug-cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1159 fprintf(fout,"d-aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1160 fprintf(fout,"d-aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1161 fprintf(fout,"d-aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1162 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1163 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1164 fprintf(fout,"DGauss-a1-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1165 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1166 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1167 fprintf(fout,"DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1168 fprintf(fout,"DZP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1169 fprintf(fout,"Dunning-DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1170 fprintf(fout,"Dunning-DZP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1171 fprintf(fout,"Dunning-DZP+ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1172 fprintf(fout,"Dunning-SV 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1173 fprintf(fout,"Dunning-SVP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1174 fprintf(fout,"Dunning-SVP+ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1175 fprintf(fout,"Dunning-TZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1176 fprintf(fout,"DZVP2-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1177 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1178 fprintf(fout,"GAMESS-pVTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1179 fprintf(fout,"GAMESS-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1180 fprintf(fout,"STO-3G 0 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1181 fprintf(fout,"3-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1182 fprintf(fout,"3-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1183 fprintf(fout,"3-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1184 fprintf(fout,"6-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1185 fprintf(fout,"6-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1186 fprintf(fout,"6-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1187 fprintf(fout,"6-31G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1188 fprintf(fout,"6-31G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1189 fprintf(fout,"6-31G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1190 fprintf(fout,"6-311G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1191 fprintf(fout,"6-311G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1192 fprintf(fout,"6-311G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1193 fprintf(fout,"6-31++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1194 fprintf(fout,"6-31+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1195 fprintf(fout,"6-311++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1196 fprintf(fout,"6-311+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1197 fprintf(fout,"6-31G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1198 fprintf(fout,"6-311G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1199 fprintf(fout,"6-31G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1200 fprintf(fout,"6-31G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1201 fprintf(fout,"6-311G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1202 fprintf(fout,"6-311G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1203 fprintf(fout,"6-31GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
1204 fprintf(fout,"6-311GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
1205 fprintf(fout,"H0703 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1206 fprintf(fout,"H0804 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1207 fprintf(fout,"H0905 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1208 fprintf(fout,"H1006 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1209 fprintf(fout,"H1107 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1210 fprintf(fout,"HUZINAGA 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1211 fprintf(fout,"H 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1212 fprintf(fout,"LANL2DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1213 fprintf(fout,"midi 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1214 fprintf(fout,"midi-bang 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1215 fprintf(fout,"mini 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1216 fprintf(fout,"mini-scaled 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1217 fprintf(fout,"Partridge1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1218 fprintf(fout,"Partridge2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1219 fprintf(fout,"Partridge3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1220 fprintf(fout,"ECP2SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1221 fprintf(fout,"ECP2MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1222 fprintf(fout,"ROOS 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1223 fprintf(fout,"rydberg1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1224 fprintf(fout,"rydberg2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1225 fprintf(fout,"rydberg3 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1226 fprintf(fout,"rydberg4 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1227 fprintf(fout,"rydberg5 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1228 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1229 fprintf(fout,"STO-2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1230 fprintf(fout,"STO2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1231 fprintf(fout,"STO3G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1232 fprintf(fout,"STO3G* 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1233 fprintf(fout,"STO-6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1234 fprintf(fout,"STO6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1235 fprintf(fout,"STO6G* 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1236 fprintf(fout,"TZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1237 fprintf(fout,"V 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1238 fprintf(fout,"V1308 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1239 fprintf(fout,"FAVG 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1240 fprintf(fout,"T6 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1241 fprintf(fout,"T 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1242 fprintf(fout,"TAYLOR 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1243 fprintf(fout,"T4 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1244 fprintf(fout,"T2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1245 fprintf(fout,"Atom Ne\n");
1246 fprintf(fout,"113\n");
1247 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1248 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1249 fprintf(fout,"Ahlrichs-TZv 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1250 fprintf(fout,"Ahlrichs-VDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1251 fprintf(fout,"Ahlrichs-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1252 fprintf(fout,"aug-cc-pCV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1253 fprintf(fout,"ACV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1254 fprintf(fout,"aug-cc-pCVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1255 fprintf(fout,"ACVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1256 fprintf(fout,"aug-cc-pCVQZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1257 fprintf(fout,"ACVQZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1258 fprintf(fout,"aug-cc-pCVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1259 fprintf(fout,"ACVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1260 fprintf(fout,"aug-cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1261 fprintf(fout,"AV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1262 fprintf(fout,"aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1263 fprintf(fout,"AVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1264 fprintf(fout,"aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1265 fprintf(fout,"AVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1266 fprintf(fout,"aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1267 fprintf(fout,"AVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1268 fprintf(fout,"cc-pCV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1269 fprintf(fout,"CV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1270 fprintf(fout,"cc-pCVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1271 fprintf(fout,"CVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1272 fprintf(fout,"cc-pCVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1273 fprintf(fout,"CVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1274 fprintf(fout,"cc-pCVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1275 fprintf(fout,"CVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1276 fprintf(fout,"cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1277 fprintf(fout,"V5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1278 fprintf(fout,"cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1279 fprintf(fout,"VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1280 fprintf(fout,"cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1281 fprintf(fout,"VQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1282 fprintf(fout,"cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1283 fprintf(fout,"VTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1284 fprintf(fout,"4D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1285 fprintf(fout,"3F 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1286 fprintf(fout,"2G 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1287 fprintf(fout,"1H 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1288 fprintf(fout,"1D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1289 fprintf(fout,"2D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1290 fprintf(fout,"3D 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1291 fprintf(fout,"1F 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1292 fprintf(fout,"2F 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1293 fprintf(fout,"1G 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1294 fprintf(fout,"d-aug-cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1295 fprintf(fout,"d-aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1296 fprintf(fout,"d-aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1297 fprintf(fout,"d-aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1298 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1299 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1300 fprintf(fout,"DGauss-a1-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1301 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1302 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1303 fprintf(fout,"Dunning-DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1304 fprintf(fout,"Dunning-DZP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1305 fprintf(fout,"Dunning-DZP+ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1306 fprintf(fout,"Dunning-SV 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1307 fprintf(fout,"Dunning-SVP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1308 fprintf(fout,"Dunning-SVP+ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1309 fprintf(fout,"Dunning-TZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1310 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1311 fprintf(fout,"GAMESS-pVTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1312 fprintf(fout,"GAMESS-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1313 fprintf(fout,"STO-3G 0 1 1 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1314 fprintf(fout,"3-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1315 fprintf(fout,"3-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1316 fprintf(fout,"3-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1317 fprintf(fout,"6-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1318 fprintf(fout,"6-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1319 fprintf(fout,"6-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1320 fprintf(fout,"6-31G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1321 fprintf(fout,"6-31G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1322 fprintf(fout,"6-31G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1323 fprintf(fout,"6-311G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1324 fprintf(fout,"6-311G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1325 fprintf(fout,"6-311G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1326 fprintf(fout,"6-31G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1327 fprintf(fout,"6-311G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1328 fprintf(fout,"6-31G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1329 fprintf(fout,"6-31G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1330 fprintf(fout,"6-311G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1331 fprintf(fout,"6-311G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1332 fprintf(fout,"6-31GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
1333 fprintf(fout,"6-311GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
1334 fprintf(fout,"H1107 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1335 fprintf(fout,"HUZINAGA 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1336 fprintf(fout,"H 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1337 fprintf(fout,"LANL2DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1338 fprintf(fout,"midi 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1339 fprintf(fout,"mini 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1340 fprintf(fout,"mini-scaled 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1341 fprintf(fout,"Partridge1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1342 fprintf(fout,"Partridge2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1343 fprintf(fout,"Partridge3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1344 fprintf(fout,"ECP2MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1345 fprintf(fout,"ECP2MWB 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1346 fprintf(fout,"ROOS 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1347 fprintf(fout,"rydberg1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1348 fprintf(fout,"rydberg2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1349 fprintf(fout,"rydberg3 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1350 fprintf(fout,"rydberg4 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1351 fprintf(fout,"rydberg5 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1352 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1353 fprintf(fout,"STO-2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1354 fprintf(fout,"STO2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1355 fprintf(fout,"STO3G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1356 fprintf(fout,"STO3G* 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1357 fprintf(fout,"STO-6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1358 fprintf(fout,"STO6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1359 fprintf(fout,"STO6G* 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1360 fprintf(fout,"Atom Na\n");
1361 fprintf(fout,"84\n");
1362 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1363 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1364 fprintf(fout,"Ahlrichs-TZv 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1365 fprintf(fout,"Ahlrichs-VDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1366 fprintf(fout,"Ahlrichs-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1367 fprintf(fout,"VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1368 fprintf(fout,"cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1369 fprintf(fout,"VTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1370 fprintf(fout,"cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1371 fprintf(fout,"VQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1372 fprintf(fout,"cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1373 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1374 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1375 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1376 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1377 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1378 fprintf(fout,"GAMESS-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1379 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1380 fprintf(fout,"3-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1381 fprintf(fout,"3-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1382 fprintf(fout,"3-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1383 fprintf(fout,"6-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1384 fprintf(fout,"6-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1385 fprintf(fout,"6-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1386 fprintf(fout,"6-31G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1387 fprintf(fout,"6-31G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1388 fprintf(fout,"6-31G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1389 fprintf(fout,"6-311G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1390 fprintf(fout,"6-311G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1391 fprintf(fout,"6-311G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1392 fprintf(fout,"6-31++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1393 fprintf(fout,"6-31+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1394 fprintf(fout,"6-311++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1395 fprintf(fout,"6-311+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1396 fprintf(fout,"6-31G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1397 fprintf(fout,"6-311G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1398 fprintf(fout,"6-31G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1399 fprintf(fout,"6-311G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1400 fprintf(fout,"6-31G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1401 fprintf(fout,"6-311G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1402 fprintf(fout,"6-31GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
1403 fprintf(fout,"6-311GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
1404 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1405 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1406 fprintf(fout,"H0905 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1407 fprintf(fout,"H1006 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1408 fprintf(fout,"H1107 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1409 fprintf(fout,"HUZINAGA 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1410 fprintf(fout,"H 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1411 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1412 fprintf(fout,"M1209P 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1413 fprintf(fout,"M1209 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1414 fprintf(fout,"MC1209 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1415 fprintf(fout,"midi 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1416 fprintf(fout,"mini 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1417 fprintf(fout,"mini-scaled 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1418 fprintf(fout,"P1810 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1419 fprintf(fout,"P1811 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1420 fprintf(fout,"P1910 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1421 fprintf(fout,"P1911 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1422 fprintf(fout,"P2012 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1423 fprintf(fout,"P 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1424 fprintf(fout,"PARTRIDG 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1425 fprintf(fout,"P1513 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1426 fprintf(fout,"P1613 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1427 fprintf(fout,"P1614 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1428 fprintf(fout,"P1813 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1429 fprintf(fout,"P-1811 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1430 fprintf(fout,"P-1911 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1431 fprintf(fout,"P+1510 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1432 fprintf(fout,"P+1611 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1433 fprintf(fout,"Partridge1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1434 fprintf(fout,"Partridge2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1435 fprintf(fout,"Partridge3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1436 fprintf(fout,"ECP10SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1437 fprintf(fout,"ROOS 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1438 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1439 fprintf(fout,"STO-2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1440 fprintf(fout,"STO2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1441 fprintf(fout,"STO3G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1442 fprintf(fout,"STO3G* 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1443 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1444 fprintf(fout,"STO6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1445 fprintf(fout,"STO6G* 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1446 fprintf(fout,"Atom Mg\n");
1447 fprintf(fout,"82\n");
1448 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1449 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1450 fprintf(fout,"Ahlrichs-TZv 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1451 fprintf(fout,"Ahlrichs-VDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1452 fprintf(fout,"Ahlrichs-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1453 fprintf(fout,"VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1454 fprintf(fout,"cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1455 fprintf(fout,"VTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1456 fprintf(fout,"cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1457 fprintf(fout,"VQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1458 fprintf(fout,"cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1459 fprintf(fout,"V5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1460 fprintf(fout,"cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1461 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1462 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1463 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1464 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1465 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1466 fprintf(fout,"GAMESS-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1467 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1468 fprintf(fout,"3-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1469 fprintf(fout,"3-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1470 fprintf(fout,"3-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1471 fprintf(fout,"6-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1472 fprintf(fout,"6-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1473 fprintf(fout,"6-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1474 fprintf(fout,"6-31G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1475 fprintf(fout,"6-31G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1476 fprintf(fout,"6-31G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1477 fprintf(fout,"6-311G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1478 fprintf(fout,"6-311G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1479 fprintf(fout,"6-311G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1480 fprintf(fout,"6-31++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1481 fprintf(fout,"6-31+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1482 fprintf(fout,"6-311++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1483 fprintf(fout,"6-311+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1484 fprintf(fout,"6-31G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1485 fprintf(fout,"6-311G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1486 fprintf(fout,"6-31G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1487 fprintf(fout,"6-311G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1488 fprintf(fout,"6-31G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1489 fprintf(fout,"6-311G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1490 fprintf(fout,"6-31GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
1491 fprintf(fout,"6-311GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
1492 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1493 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1494 fprintf(fout,"H0905 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1495 fprintf(fout,"H1006 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1496 fprintf(fout,"H1107 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1497 fprintf(fout,"H1206 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1498 fprintf(fout,"HUZINAGA 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1499 fprintf(fout,"H 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1500 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1501 fprintf(fout,"M1209P 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1502 fprintf(fout,"M1209 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1503 fprintf(fout,"mini 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1504 fprintf(fout,"mini-scaled 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1505 fprintf(fout,"P1709 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1506 fprintf(fout,"P1810 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1507 fprintf(fout,"P1811 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1508 fprintf(fout,"P1911 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1509 fprintf(fout,"P2012 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1510 fprintf(fout,"P 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1511 fprintf(fout,"PARTRIDG 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1512 fprintf(fout,"P1813 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1513 fprintf(fout,"P1814 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1514 fprintf(fout,"P1913 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1515 fprintf(fout,"P1914 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1516 fprintf(fout,"P+1811 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1517 fprintf(fout,"Partridge1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1518 fprintf(fout,"Partridge2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1519 fprintf(fout,"Partridge3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1520 fprintf(fout,"ECP10SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1521 fprintf(fout,"ROOS 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1522 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1523 fprintf(fout,"STO-2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1524 fprintf(fout,"STO2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1525 fprintf(fout,"STO3G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1526 fprintf(fout,"STO3G* 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1527 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1528 fprintf(fout,"STO6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1529 fprintf(fout,"STO6G* 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1530 fprintf(fout,"Atom Al\n");
1531 fprintf(fout,"93\n");
1532 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1533 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1534 fprintf(fout,"Ahlrichs-TZv 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1535 fprintf(fout,"Ahlrichs-VDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1536 fprintf(fout,"Ahlrichs-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1537 fprintf(fout,"aug-cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1538 fprintf(fout,"AV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1539 fprintf(fout,"aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1540 fprintf(fout,"AVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1541 fprintf(fout,"aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1542 fprintf(fout,"AVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1543 fprintf(fout,"aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1544 fprintf(fout,"AVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1545 fprintf(fout,"cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1546 fprintf(fout,"V5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1547 fprintf(fout,"cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1548 fprintf(fout,"VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1549 fprintf(fout,"cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1550 fprintf(fout,"VQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1551 fprintf(fout,"cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1552 fprintf(fout,"VTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1553 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1554 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1555 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1556 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1557 fprintf(fout,"DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1558 fprintf(fout,"Dunning-DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1559 fprintf(fout,"Dunning-DZP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1560 fprintf(fout,"Dunning-DZP+ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1561 fprintf(fout,"DZVP2-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1562 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1563 fprintf(fout,"GAMESS-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1564 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1565 fprintf(fout,"3-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1566 fprintf(fout,"3-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1567 fprintf(fout,"3-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1568 fprintf(fout,"6-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1569 fprintf(fout,"6-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1570 fprintf(fout,"6-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1571 fprintf(fout,"6-31G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1572 fprintf(fout,"6-31G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1573 fprintf(fout,"6-31G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1574 fprintf(fout,"6-311G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1575 fprintf(fout,"6-311G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1576 fprintf(fout,"6-311G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1577 fprintf(fout,"6-31++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1578 fprintf(fout,"6-31+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1579 fprintf(fout,"6-311++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1580 fprintf(fout,"6-311+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1581 fprintf(fout,"6-31G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1582 fprintf(fout,"6-311G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1583 fprintf(fout,"6-31G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1584 fprintf(fout,"6-311G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1585 fprintf(fout,"6-31G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1586 fprintf(fout,"6-311G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1587 fprintf(fout,"6-31GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
1588 fprintf(fout,"6-311GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
1589 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1590 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1591 fprintf(fout,"H0905 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1592 fprintf(fout,"H1006 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1593 fprintf(fout,"H1107 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1594 fprintf(fout,"H1209 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1595 fprintf(fout,"HUZINAGA 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1596 fprintf(fout,"H 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1597 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1598 fprintf(fout,"M1209 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1599 fprintf(fout,"midi 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1600 fprintf(fout,"mini 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1601 fprintf(fout,"mini-scaled 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1602 fprintf(fout,"P1712 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1603 fprintf(fout,"P1813 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1604 fprintf(fout,"P1914 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1605 fprintf(fout,"P2015 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1606 fprintf(fout,"P 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1607 fprintf(fout,"PARTRIDG 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1608 fprintf(fout,"Partridge1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1609 fprintf(fout,"Partridge2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1610 fprintf(fout,"Partridge3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1611 fprintf(fout,"ECP10SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1612 fprintf(fout,"ECP10MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1613 fprintf(fout,"ROOS 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1614 fprintf(fout,"rydberg4 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1615 fprintf(fout,"rydberg5 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1616 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1617 fprintf(fout,"STO-2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1618 fprintf(fout,"STO2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1619 fprintf(fout,"STO3G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1620 fprintf(fout,"STO3G* 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1621 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1622 fprintf(fout,"STO6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1623 fprintf(fout,"STO6G* 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1624 fprintf(fout,"TZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1625 fprintf(fout,"Atom Si\n");
1626 fprintf(fout,"91\n");
1627 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1628 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1629 fprintf(fout,"Ahlrichs-TZv 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1630 fprintf(fout,"Ahlrichs-VDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1631 fprintf(fout,"Ahlrichs-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1632 fprintf(fout,"aug-cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1633 fprintf(fout,"AV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1634 fprintf(fout,"aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1635 fprintf(fout,"AVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1636 fprintf(fout,"aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1637 fprintf(fout,"AVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1638 fprintf(fout,"aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1639 fprintf(fout,"AVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1640 fprintf(fout,"cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1641 fprintf(fout,"V5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1642 fprintf(fout,"cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1643 fprintf(fout,"VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1644 fprintf(fout,"cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1645 fprintf(fout,"VQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1646 fprintf(fout,"cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1647 fprintf(fout,"VTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1648 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1649 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1650 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1651 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1652 fprintf(fout,"DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1653 fprintf(fout,"Dunning-DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1654 fprintf(fout,"Dunning-DZP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1655 fprintf(fout,"Dunning-DZP+ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1656 fprintf(fout,"DZVP2-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1657 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1658 fprintf(fout,"GAMESS-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1659 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1660 fprintf(fout,"3-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1661 fprintf(fout,"3-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1662 fprintf(fout,"3-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1663 fprintf(fout,"6-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1664 fprintf(fout,"6-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1665 fprintf(fout,"6-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1666 fprintf(fout,"6-31G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1667 fprintf(fout,"6-31G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1668 fprintf(fout,"6-31G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1669 fprintf(fout,"6-311G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1670 fprintf(fout,"6-311G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1671 fprintf(fout,"6-311G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1672 fprintf(fout,"6-31++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1673 fprintf(fout,"6-31+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1674 fprintf(fout,"6-311++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1675 fprintf(fout,"6-311+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1676 fprintf(fout,"6-31G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1677 fprintf(fout,"6-311G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1678 fprintf(fout,"6-31G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1679 fprintf(fout,"6-311G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1680 fprintf(fout,"6-31G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1681 fprintf(fout,"6-311G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1682 fprintf(fout,"6-31GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
1683 fprintf(fout,"6-311GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
1684 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1685 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1686 fprintf(fout,"H0905 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1687 fprintf(fout,"H1006 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1688 fprintf(fout,"H1107 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1689 fprintf(fout,"HUZINAGA 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1690 fprintf(fout,"H 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1691 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1692 fprintf(fout,"M1209 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1693 fprintf(fout,"midi 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1694 fprintf(fout,"midi-bang 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1695 fprintf(fout,"mini 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1696 fprintf(fout,"mini-scaled 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1697 fprintf(fout,"P1712 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1698 fprintf(fout,"P1813 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1699 fprintf(fout,"P1914 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1700 fprintf(fout,"P2015 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1701 fprintf(fout,"Partridge1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1702 fprintf(fout,"Partridge2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1703 fprintf(fout,"Partridge3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1704 fprintf(fout,"ECP10SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1705 fprintf(fout,"ECP10MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1706 fprintf(fout,"ROOS 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1707 fprintf(fout,"rydberg4 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1708 fprintf(fout,"rydberg5 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1709 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1710 fprintf(fout,"STO-2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1711 fprintf(fout,"STO2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1712 fprintf(fout,"STO3G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1713 fprintf(fout,"STO3G* 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1714 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1715 fprintf(fout,"STO6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1716 fprintf(fout,"STO6G* 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1717 fprintf(fout,"TZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1718 fprintf(fout,"Atom P\n");
1719 fprintf(fout,"94\n");
1720 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1721 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1722 fprintf(fout,"Ahlrichs-TZv 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1723 fprintf(fout,"Ahlrichs-VDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1724 fprintf(fout,"Ahlrichs-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1725 fprintf(fout,"aug-cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1726 fprintf(fout,"AV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1727 fprintf(fout,"aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1728 fprintf(fout,"AVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1729 fprintf(fout,"aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1730 fprintf(fout,"AVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1731 fprintf(fout,"aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1732 fprintf(fout,"AVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1733 fprintf(fout,"cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1734 fprintf(fout,"V5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1735 fprintf(fout,"cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1736 fprintf(fout,"VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1737 fprintf(fout,"cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1738 fprintf(fout,"VQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1739 fprintf(fout,"cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1740 fprintf(fout,"VTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1741 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1742 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1743 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1744 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1745 fprintf(fout,"DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1746 fprintf(fout,"Dunning-DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1747 fprintf(fout,"Dunning-DZP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1748 fprintf(fout,"Dunning-DZP+ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1749 fprintf(fout,"DZVP2-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1750 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1751 fprintf(fout,"GAMESS-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1752 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1753 fprintf(fout,"3-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1754 fprintf(fout,"3-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1755 fprintf(fout,"3-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1756 fprintf(fout,"6-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1757 fprintf(fout,"6-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1758 fprintf(fout,"6-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1759 fprintf(fout,"6-31G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1760 fprintf(fout,"6-31G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1761 fprintf(fout,"6-31G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1762 fprintf(fout,"6-311G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1763 fprintf(fout,"6-311G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1764 fprintf(fout,"6-311G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1765 fprintf(fout,"6-31++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1766 fprintf(fout,"6-31+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1767 fprintf(fout,"6-311++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1768 fprintf(fout,"6-311+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1769 fprintf(fout,"6-31G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1770 fprintf(fout,"6-311G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1771 fprintf(fout,"6-31G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1772 fprintf(fout,"6-311G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1773 fprintf(fout,"6-31G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1774 fprintf(fout,"6-311G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1775 fprintf(fout,"6-31GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
1776 fprintf(fout,"6-311GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
1777 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1778 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1779 fprintf(fout,"H0905 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1780 fprintf(fout,"H1006 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1781 fprintf(fout,"H1107 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1782 fprintf(fout,"H1208 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1783 fprintf(fout,"HUZINAGA 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1784 fprintf(fout,"H 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1785 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1786 fprintf(fout,"M1209 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1787 fprintf(fout,"midi 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1788 fprintf(fout,"midi-bang 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1789 fprintf(fout,"mini 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1790 fprintf(fout,"mini-scaled 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1791 fprintf(fout,"P1712 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1792 fprintf(fout,"P1813 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1793 fprintf(fout,"P1914 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1794 fprintf(fout,"P-1813 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1795 fprintf(fout,"P-1914 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1796 fprintf(fout,"P2015 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1797 fprintf(fout,"Partridge1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1798 fprintf(fout,"Partridge2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1799 fprintf(fout,"Partridge3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1800 fprintf(fout,"ECP10SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1801 fprintf(fout,"ECP10MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1802 fprintf(fout,"ROOS 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1803 fprintf(fout,"rydberg4 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1804 fprintf(fout,"rydberg5 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1805 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1806 fprintf(fout,"STO-2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1807 fprintf(fout,"STO2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1808 fprintf(fout,"STO3G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1809 fprintf(fout,"STO3G* 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1810 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1811 fprintf(fout,"STO6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1812 fprintf(fout,"STO6G* 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1813 fprintf(fout,"TZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1814 fprintf(fout,"Atom S\n");
1815 fprintf(fout,"94\n");
1816 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1817 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1818 fprintf(fout,"Ahlrichs-TZv 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1819 fprintf(fout,"Ahlrichs-VDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1820 fprintf(fout,"Ahlrichs-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1821 fprintf(fout,"aug-cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1822 fprintf(fout,"AV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1823 fprintf(fout,"aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1824 fprintf(fout,"AVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1825 fprintf(fout,"aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1826 fprintf(fout,"AVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1827 fprintf(fout,"aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1828 fprintf(fout,"AVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1829 fprintf(fout,"cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1830 fprintf(fout,"V5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1831 fprintf(fout,"cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1832 fprintf(fout,"VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1833 fprintf(fout,"cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1834 fprintf(fout,"VQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1835 fprintf(fout,"cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1836 fprintf(fout,"VTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1837 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1838 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1839 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1840 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1841 fprintf(fout,"DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1842 fprintf(fout,"Dunning-DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1843 fprintf(fout,"Dunning-DZP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1844 fprintf(fout,"Dunning-DZP+ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1845 fprintf(fout,"DZVP2-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1846 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1847 fprintf(fout,"GAMESS-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1848 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1849 fprintf(fout,"3-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1850 fprintf(fout,"3-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1851 fprintf(fout,"3-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1852 fprintf(fout,"6-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1853 fprintf(fout,"6-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1854 fprintf(fout,"6-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1855 fprintf(fout,"6-31G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1856 fprintf(fout,"6-31G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1857 fprintf(fout,"6-31G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1858 fprintf(fout,"6-311G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1859 fprintf(fout,"6-311G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1860 fprintf(fout,"6-311G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1861 fprintf(fout,"6-31++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1862 fprintf(fout,"6-31+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1863 fprintf(fout,"6-311++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1864 fprintf(fout,"6-311+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1865 fprintf(fout,"6-31G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1866 fprintf(fout,"6-311G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1867 fprintf(fout,"6-31G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1868 fprintf(fout,"6-311G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1869 fprintf(fout,"6-31G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1870 fprintf(fout,"6-311G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1871 fprintf(fout,"6-31GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
1872 fprintf(fout,"6-311GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
1873 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1874 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1875 fprintf(fout,"H0905 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1876 fprintf(fout,"H1006 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1877 fprintf(fout,"H1107 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1878 fprintf(fout,"H1208 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1879 fprintf(fout,"HUZINAGA 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1880 fprintf(fout,"H 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1881 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1882 fprintf(fout,"M1209 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1883 fprintf(fout,"midi 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1884 fprintf(fout,"midi-bang 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1885 fprintf(fout,"mini 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1886 fprintf(fout,"mini-scaled 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1887 fprintf(fout,"P1712 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1888 fprintf(fout,"P1813 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1889 fprintf(fout,"P1914 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1890 fprintf(fout,"P-1813 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1891 fprintf(fout,"P-1914 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1892 fprintf(fout,"P2015 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1893 fprintf(fout,"Partridge1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1894 fprintf(fout,"Partridge2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1895 fprintf(fout,"Partridge3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1896 fprintf(fout,"ECP10SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1897 fprintf(fout,"ECP10MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1898 fprintf(fout,"ROOS 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1899 fprintf(fout,"rydberg4 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1900 fprintf(fout,"rydberg5 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1901 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1902 fprintf(fout,"STO-2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1903 fprintf(fout,"STO2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1904 fprintf(fout,"STO3G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1905 fprintf(fout,"STO3G* 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1906 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1907 fprintf(fout,"STO6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1908 fprintf(fout,"STO6G* 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1909 fprintf(fout,"TZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1910 fprintf(fout,"Atom Cl\n");
1911 fprintf(fout,"95\n");
1912 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1913 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1914 fprintf(fout,"Ahlrichs-TZv 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1915 fprintf(fout,"Ahlrichs-VDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1916 fprintf(fout,"Ahlrichs-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1917 fprintf(fout,"aug-cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1918 fprintf(fout,"AV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1919 fprintf(fout,"aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1920 fprintf(fout,"AVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1921 fprintf(fout,"aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1922 fprintf(fout,"AVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1923 fprintf(fout,"aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1924 fprintf(fout,"AVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1925 fprintf(fout,"cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1926 fprintf(fout,"V5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1927 fprintf(fout,"cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1928 fprintf(fout,"VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1929 fprintf(fout,"cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1930 fprintf(fout,"VQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1931 fprintf(fout,"cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1932 fprintf(fout,"VTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1933 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1934 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1935 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1936 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1937 fprintf(fout,"DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1938 fprintf(fout,"Dunning-DZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1939 fprintf(fout,"Dunning-DZP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1940 fprintf(fout,"Dunning-DZP+ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1941 fprintf(fout,"DZVP2-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1942 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1943 fprintf(fout,"GAMESS-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1944 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1945 fprintf(fout,"3-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1946 fprintf(fout,"3-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1947 fprintf(fout,"3-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1948 fprintf(fout,"6-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1949 fprintf(fout,"6-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1950 fprintf(fout,"6-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1951 fprintf(fout,"6-31G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1952 fprintf(fout,"6-31G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1953 fprintf(fout,"6-31G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1954 fprintf(fout,"6-311G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1955 fprintf(fout,"6-311G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
1956 fprintf(fout,"6-311G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1957 fprintf(fout,"6-31++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1958 fprintf(fout,"6-31+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1959 fprintf(fout,"6-311++G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1960 fprintf(fout,"6-311+G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
1961 fprintf(fout,"6-31G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1962 fprintf(fout,"6-311G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1963 fprintf(fout,"6-31G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1964 fprintf(fout,"6-311G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1965 fprintf(fout,"6-31G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1966 fprintf(fout,"6-311G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
1967 fprintf(fout,"6-31GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
1968 fprintf(fout,"6-311GF 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 \n");
1969 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1970 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1971 fprintf(fout,"H0905 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1972 fprintf(fout,"H1006 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1973 fprintf(fout,"H1107 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1974 fprintf(fout,"H1208 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1975 fprintf(fout,"H1209 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1976 fprintf(fout,"HUZINAGA 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1977 fprintf(fout,"H 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1978 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1979 fprintf(fout,"M1209 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1980 fprintf(fout,"midi 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1981 fprintf(fout,"midi-bang 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1982 fprintf(fout,"mini 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1983 fprintf(fout,"mini-scaled 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1984 fprintf(fout,"P1712 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1985 fprintf(fout,"P1813 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1986 fprintf(fout,"P1914 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1987 fprintf(fout,"P-1813 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1988 fprintf(fout,"P-1914 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1989 fprintf(fout,"P2015 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1990 fprintf(fout,"Partridge1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1991 fprintf(fout,"Partridge2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1992 fprintf(fout,"Partridge3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1993 fprintf(fout,"ECP10SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1994 fprintf(fout,"ECP10MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1995 fprintf(fout,"ROOS 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1996 fprintf(fout,"rydberg4 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1997 fprintf(fout,"rydberg5 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1998 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
1999 fprintf(fout,"STO-2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2000 fprintf(fout,"STO2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2001 fprintf(fout,"STO3G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2002 fprintf(fout,"STO3G* 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2003 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2004 fprintf(fout,"STO6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2005 fprintf(fout,"STO6G* 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2006 fprintf(fout,"TZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2007 fprintf(fout,"Atom Ar\n");
2008 fprintf(fout,"82\n");
2009 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2010 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2011 fprintf(fout,"Ahlrichs-TZv 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2012 fprintf(fout,"Ahlrichs-VDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2013 fprintf(fout,"Ahlrichs-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2014 fprintf(fout,"aug-cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2015 fprintf(fout,"AV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2016 fprintf(fout,"aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2017 fprintf(fout,"AVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2018 fprintf(fout,"aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2019 fprintf(fout,"AVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2020 fprintf(fout,"aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2021 fprintf(fout,"AVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2022 fprintf(fout,"cc-pV5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2023 fprintf(fout,"V5Z 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2024 fprintf(fout,"cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2025 fprintf(fout,"VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2026 fprintf(fout,"cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2027 fprintf(fout,"VQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2028 fprintf(fout,"cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2029 fprintf(fout,"VTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2030 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2031 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2032 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2033 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2034 fprintf(fout,"DZVP2-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2035 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2036 fprintf(fout,"GAMESS-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2037 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
2038 fprintf(fout,"3-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
2039 fprintf(fout,"3-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
2040 fprintf(fout,"3-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
2041 fprintf(fout,"6-21G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
2042 fprintf(fout,"6-21G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
2043 fprintf(fout,"6-21G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
2044 fprintf(fout,"6-31G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
2045 fprintf(fout,"6-31G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
2046 fprintf(fout,"6-31G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
2047 fprintf(fout,"6-311G** 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
2048 fprintf(fout,"6-311G* 0 0 0 0 0 0 0 0 0 0 0 1 1 1 0 0 0 0 0 0 0 \n");
2049 fprintf(fout,"6-311G 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 \n");
2050 fprintf(fout,"6-31G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
2051 fprintf(fout,"6-311G1D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
2052 fprintf(fout,"6-31G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
2053 fprintf(fout,"6-311G2D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
2054 fprintf(fout,"6-31G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
2055 fprintf(fout,"6-311G3D 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 \n");
2056 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2057 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2058 fprintf(fout,"H1209 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2059 fprintf(fout,"HUZINAGA 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2060 fprintf(fout,"H 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2061 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2062 fprintf(fout,"M1209 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2063 fprintf(fout,"midi 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2064 fprintf(fout,"mini 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2065 fprintf(fout,"mini-scaled 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2066 fprintf(fout,"A1610 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2067 fprintf(fout,"P1712 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2068 fprintf(fout,"P1510 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2069 fprintf(fout,"P1610 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2070 fprintf(fout,"P1611 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2071 fprintf(fout,"P1812 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2072 fprintf(fout,"P1813 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2073 fprintf(fout,"P1913 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2074 fprintf(fout,"P1914 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2075 fprintf(fout,"P2015 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2076 fprintf(fout,"Partridge1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2077 fprintf(fout,"Partridge2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2078 fprintf(fout,"Partridge3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2079 fprintf(fout,"ECP10MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2080 fprintf(fout,"ECP10MWB 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2081 fprintf(fout,"ROOS 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2082 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2083 fprintf(fout,"STO-2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2084 fprintf(fout,"STO2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2085 fprintf(fout,"STO3G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2086 fprintf(fout,"STO3G* 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2087 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2088 fprintf(fout,"STO6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2089 fprintf(fout,"STO6G* 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2090 fprintf(fout,"TZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2091 fprintf(fout,"Atom K\n");
2092 fprintf(fout,"34\n");
2093 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2094 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2095 fprintf(fout,"Ahlrichs-TZv 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2096 fprintf(fout,"Ahlrichs-VDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2097 fprintf(fout,"Ahlrichs-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2098 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2099 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2100 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2101 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2102 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2103 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2104 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2105 fprintf(fout,"DZ-ECP2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2106 fprintf(fout,"H1206 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2107 fprintf(fout,"HUZINAGA 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2108 fprintf(fout,"H 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2109 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2110 fprintf(fout,"midi 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2111 fprintf(fout,"mini 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2112 fprintf(fout,"mini-scaled 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2113 fprintf(fout,"W1208 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2114 fprintf(fout,"Partridge1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2115 fprintf(fout,"Partridge2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2116 fprintf(fout,"Partridge3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2117 fprintf(fout,"ECP18SHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2118 fprintf(fout,"ECP18SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2119 fprintf(fout,"ECP10MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2120 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2121 fprintf(fout,"STO-2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2122 fprintf(fout,"STO2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2123 fprintf(fout,"STO-3G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2124 fprintf(fout,"STO3G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2125 fprintf(fout,"STO-6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2126 fprintf(fout,"STO6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2127 fprintf(fout,"Atom Ca\n");
2128 fprintf(fout,"33\n");
2129 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2130 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2131 fprintf(fout,"Ahlrichs-TZv 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2132 fprintf(fout,"Ahlrichs-VDZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2133 fprintf(fout,"Ahlrichs-VTZ 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2134 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2135 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2136 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2137 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2138 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2139 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2140 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2141 fprintf(fout,"MBS-ECP2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2142 fprintf(fout,"H1206 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2143 fprintf(fout,"HUZINAGA 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2144 fprintf(fout,"H 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2145 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2146 fprintf(fout,"mini 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2147 fprintf(fout,"mini-scaled 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2148 fprintf(fout,"Partridge1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2149 fprintf(fout,"Partridge2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2150 fprintf(fout,"Partridge3 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2151 fprintf(fout,"ECP18SHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2152 fprintf(fout,"ECP18SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2153 fprintf(fout,"ECP10MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2154 fprintf(fout,"ECP10MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2155 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2156 fprintf(fout,"STO-2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2157 fprintf(fout,"STO2G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2158 fprintf(fout,"STO-3G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2159 fprintf(fout,"STO3G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2160 fprintf(fout,"STO-6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2161 fprintf(fout,"STO6G 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2162 fprintf(fout,"Atom Sc\n");
2163 fprintf(fout,"48\n");
2164 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2165 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2166 fprintf(fout,"Ahlrichs-TZv 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2167 fprintf(fout,"Ahlrichs-VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2168 fprintf(fout,"Ahlrichs-VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2169 fprintf(fout,"Bauschlicher-ANO 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2170 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2171 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2172 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2173 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2174 fprintf(fout,"DZVP2-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2175 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2176 fprintf(fout,"HAY 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2177 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2178 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2179 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2180 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2181 fprintf(fout,"H090503 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2182 fprintf(fout,"H120604 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2183 fprintf(fout,"HUZINAGA 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2184 fprintf(fout,"H 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2185 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2186 fprintf(fout,"P231608 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2187 fprintf(fout,"P211308 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2188 fprintf(fout,"P201209 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2189 fprintf(fout,"P 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2190 fprintf(fout,"PARTRIDG 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2191 fprintf(fout,"P211409 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2192 fprintf(fout,"P221409 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2193 fprintf(fout,"P231510 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2194 fprintf(fout,"P231511 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2195 fprintf(fout,"P211408 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2196 fprintf(fout,"PSUPP 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2197 fprintf(fout,"Partridge1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2198 fprintf(fout,"Partridge2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2199 fprintf(fout,"Partridge3 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2200 fprintf(fout,"ECP10MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2201 fprintf(fout,"ECP10MDF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2202 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2203 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2204 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2205 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2206 fprintf(fout,"STO6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2207 fprintf(fout,"W140905 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2208 fprintf(fout,"WACHTERS 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2209 fprintf(fout,"W 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2210 fprintf(fout,"WSUPP 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2211 fprintf(fout,"WP 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2212 fprintf(fout,"Atom Ti\n");
2213 fprintf(fout,"42\n");
2214 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2215 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2216 fprintf(fout,"Ahlrichs-TZv 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2217 fprintf(fout,"Ahlrichs-VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2218 fprintf(fout,"Ahlrichs-VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2219 fprintf(fout,"Bauschlicher-ANO 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2220 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2221 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2222 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2223 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2224 fprintf(fout,"DZVP2-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2225 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2226 fprintf(fout,"HAY 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2227 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2228 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2229 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2230 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2231 fprintf(fout,"H090503 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2232 fprintf(fout,"H120604 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2233 fprintf(fout,"HUZINAGA 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2234 fprintf(fout,"H 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2235 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2236 fprintf(fout,"P201209 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2237 fprintf(fout,"P 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2238 fprintf(fout,"PARTRIDG 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2239 fprintf(fout,"PSUPP 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2240 fprintf(fout,"Partridge1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2241 fprintf(fout,"Partridge2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2242 fprintf(fout,"Partridge3 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2243 fprintf(fout,"ECP10MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2244 fprintf(fout,"ECP10MDF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2245 fprintf(fout,"ECP18MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2246 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2247 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2248 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2249 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2250 fprintf(fout,"STO6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2251 fprintf(fout,"W140905 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2252 fprintf(fout,"WACHTERS 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2253 fprintf(fout,"W 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2254 fprintf(fout,"WSUPP 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2255 fprintf(fout,"WP 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2256 fprintf(fout,"Atom V\n");
2257 fprintf(fout,"41\n");
2258 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2259 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2260 fprintf(fout,"Ahlrichs-TZv 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2261 fprintf(fout,"Ahlrichs-VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2262 fprintf(fout,"Ahlrichs-VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2263 fprintf(fout,"Bauschlicher-ANO 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2264 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2265 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2266 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2267 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2268 fprintf(fout,"DZVP2-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2269 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2270 fprintf(fout,"HAY 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2271 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2272 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2273 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2274 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2275 fprintf(fout,"H090503 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2276 fprintf(fout,"H120604 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2277 fprintf(fout,"HUZINAGA 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2278 fprintf(fout,"H 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2279 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2280 fprintf(fout,"P201209 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2281 fprintf(fout,"P 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2282 fprintf(fout,"PARTRIDG 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2283 fprintf(fout,"PSUPP 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2284 fprintf(fout,"Partridge1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2285 fprintf(fout,"Partridge2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2286 fprintf(fout,"Partridge3 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2287 fprintf(fout,"ECP10MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2288 fprintf(fout,"ECP10MDF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2289 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2290 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2291 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2292 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2293 fprintf(fout,"STO6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2294 fprintf(fout,"W140905 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2295 fprintf(fout,"WACHTERS 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2296 fprintf(fout,"W 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2297 fprintf(fout,"WSUPP 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2298 fprintf(fout,"WP 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2299 fprintf(fout,"Atom Cr\n");
2300 fprintf(fout,"41\n");
2301 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2302 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2303 fprintf(fout,"Ahlrichs-TZv 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2304 fprintf(fout,"Ahlrichs-VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2305 fprintf(fout,"Ahlrichs-VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2306 fprintf(fout,"Bauschlicher-ANO 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2307 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2308 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2309 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2310 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2311 fprintf(fout,"DZVP2-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2312 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2313 fprintf(fout,"HAY 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2314 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2315 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2316 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2317 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2318 fprintf(fout,"H090503 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2319 fprintf(fout,"H120604 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2320 fprintf(fout,"HUZINAGA 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2321 fprintf(fout,"H 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2322 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2323 fprintf(fout,"P201209 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2324 fprintf(fout,"P 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2325 fprintf(fout,"PARTRIDG 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2326 fprintf(fout,"PSUPP 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2327 fprintf(fout,"Partridge1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2328 fprintf(fout,"Partridge2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2329 fprintf(fout,"Partridge3 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2330 fprintf(fout,"ECP10MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2331 fprintf(fout,"ECP10MDF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2332 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2333 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2334 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2335 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2336 fprintf(fout,"STO6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2337 fprintf(fout,"W140905 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2338 fprintf(fout,"WACHTERS 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2339 fprintf(fout,"W 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2340 fprintf(fout,"WSUPP 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2341 fprintf(fout,"WP 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2342 fprintf(fout,"Atom Mn\n");
2343 fprintf(fout,"41\n");
2344 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2345 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2346 fprintf(fout,"Ahlrichs-TZv 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2347 fprintf(fout,"Ahlrichs-VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2348 fprintf(fout,"Ahlrichs-VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2349 fprintf(fout,"Bauschlicher-ANO 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2350 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2351 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2352 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2353 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2354 fprintf(fout,"DZVP2-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2355 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2356 fprintf(fout,"HAY 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2357 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2358 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2359 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2360 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2361 fprintf(fout,"H090503 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2362 fprintf(fout,"H120604 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2363 fprintf(fout,"HUZINAGA 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2364 fprintf(fout,"H 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2365 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2366 fprintf(fout,"P201209 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2367 fprintf(fout,"P 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2368 fprintf(fout,"PARTRIDG 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2369 fprintf(fout,"PSUPP 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2370 fprintf(fout,"Partridge1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2371 fprintf(fout,"Partridge2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2372 fprintf(fout,"Partridge3 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2373 fprintf(fout,"ECP10MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2374 fprintf(fout,"ECP10MDF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2375 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2376 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2377 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2378 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2379 fprintf(fout,"STO6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2380 fprintf(fout,"W140905 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2381 fprintf(fout,"WACHTERS 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2382 fprintf(fout,"W 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2383 fprintf(fout,"WSUPP 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2384 fprintf(fout,"WP 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2385 fprintf(fout,"Atom Fe\n");
2386 fprintf(fout,"41\n");
2387 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2388 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2389 fprintf(fout,"Ahlrichs-TZv 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2390 fprintf(fout,"Ahlrichs-VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2391 fprintf(fout,"Ahlrichs-VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2392 fprintf(fout,"Bauschlicher-ANO 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2393 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2394 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2395 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2396 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2397 fprintf(fout,"DZVP2-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2398 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2399 fprintf(fout,"HAY 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2400 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2401 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2402 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2403 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2404 fprintf(fout,"H090503 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2405 fprintf(fout,"H120604 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2406 fprintf(fout,"HUZINAGA 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2407 fprintf(fout,"H 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2408 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2409 fprintf(fout,"P201209 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2410 fprintf(fout,"P 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2411 fprintf(fout,"PARTRIDG 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2412 fprintf(fout,"PSUPP 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2413 fprintf(fout,"Partridge1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2414 fprintf(fout,"Partridge2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2415 fprintf(fout,"Partridge3 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2416 fprintf(fout,"ECP10MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2417 fprintf(fout,"ECP10MDF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2418 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2419 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2420 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2421 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2422 fprintf(fout,"STO6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2423 fprintf(fout,"W140905 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2424 fprintf(fout,"WACHTERS 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2425 fprintf(fout,"W 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2426 fprintf(fout,"WSUPP 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2427 fprintf(fout,"WP 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2428 fprintf(fout,"Atom Co\n");
2429 fprintf(fout,"41\n");
2430 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2431 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2432 fprintf(fout,"Ahlrichs-TZv 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2433 fprintf(fout,"Ahlrichs-VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2434 fprintf(fout,"Ahlrichs-VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2435 fprintf(fout,"Bauschlicher-ANO 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2436 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2437 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2438 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2439 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2440 fprintf(fout,"DZVP2-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2441 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2442 fprintf(fout,"HAY 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2443 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2444 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2445 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2446 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2447 fprintf(fout,"H090503 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2448 fprintf(fout,"H120604 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2449 fprintf(fout,"HUZINAGA 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2450 fprintf(fout,"H 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2451 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2452 fprintf(fout,"P201209 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2453 fprintf(fout,"P 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2454 fprintf(fout,"PARTRIDG 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2455 fprintf(fout,"PSUPP 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2456 fprintf(fout,"Partridge1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2457 fprintf(fout,"Partridge2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2458 fprintf(fout,"Partridge3 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2459 fprintf(fout,"ECP10MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2460 fprintf(fout,"ECP10MDF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2461 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2462 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2463 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2464 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2465 fprintf(fout,"STO6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2466 fprintf(fout,"W140905 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2467 fprintf(fout,"WACHTERS 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2468 fprintf(fout,"W 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2469 fprintf(fout,"WSUPP 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2470 fprintf(fout,"WP 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2471 fprintf(fout,"Atom Ni\n");
2472 fprintf(fout,"41\n");
2473 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2474 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2475 fprintf(fout,"Ahlrichs-TZv 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2476 fprintf(fout,"Ahlrichs-VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2477 fprintf(fout,"Ahlrichs-VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2478 fprintf(fout,"Bauschlicher-ANO 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2479 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2480 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2481 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2482 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2483 fprintf(fout,"DZVP2-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2484 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2485 fprintf(fout,"HAY 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2486 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2487 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2488 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2489 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2490 fprintf(fout,"H090503 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2491 fprintf(fout,"H120604 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2492 fprintf(fout,"HUZINAGA 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2493 fprintf(fout,"H 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2494 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2495 fprintf(fout,"P201209 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2496 fprintf(fout,"P 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2497 fprintf(fout,"PARTRIDG 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2498 fprintf(fout,"PSUPP 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2499 fprintf(fout,"Partridge1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2500 fprintf(fout,"Partridge2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2501 fprintf(fout,"Partridge3 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2502 fprintf(fout,"ECP10MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2503 fprintf(fout,"ECP10MDF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2504 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2505 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2506 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2507 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2508 fprintf(fout,"STO6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2509 fprintf(fout,"W140905 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2510 fprintf(fout,"WACHTERS 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2511 fprintf(fout,"W 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2512 fprintf(fout,"WSUPP 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2513 fprintf(fout,"WP 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2514 fprintf(fout,"Atom Cu\n");
2515 fprintf(fout,"50\n");
2516 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2517 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2518 fprintf(fout,"Ahlrichs-TZv 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2519 fprintf(fout,"Ahlrichs-VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2520 fprintf(fout,"Ahlrichs-VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2521 fprintf(fout,"Bauschlicher-ANO 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2522 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2523 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2524 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2525 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2526 fprintf(fout,"DZVP2-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2527 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2528 fprintf(fout,"HAY 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2529 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2530 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2531 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2532 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2533 fprintf(fout,"H090503 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2534 fprintf(fout,"H120604 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2535 fprintf(fout,"HUZINAGA 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2536 fprintf(fout,"H 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2537 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2538 fprintf(fout,"P201209 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2539 fprintf(fout,"P 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2540 fprintf(fout,"PARTRIDG 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2541 fprintf(fout,"PD 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2542 fprintf(fout,"PARTRIDD 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2543 fprintf(fout,"PSUPP 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2544 fprintf(fout,"Partridge1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2545 fprintf(fout,"Partridge2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2546 fprintf(fout,"Partridge3 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2547 fprintf(fout,"ECP10MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2548 fprintf(fout,"ECP10MDF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2549 fprintf(fout,"ECP28SHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2550 fprintf(fout,"ECP28SDF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2551 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2552 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2553 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2554 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2555 fprintf(fout,"STO6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2556 fprintf(fout,"W140905 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2557 fprintf(fout,"WACHTERS 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2558 fprintf(fout,"W 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2559 fprintf(fout,"WS 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2560 fprintf(fout,"WSUPP 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2561 fprintf(fout,"WP 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2562 fprintf(fout,"WSSUPP 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2563 fprintf(fout,"WSP 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2564 fprintf(fout,"WD 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2565 fprintf(fout,"WDP 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2566 fprintf(fout,"Atom Zn\n");
2567 fprintf(fout,"33\n");
2568 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2569 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2570 fprintf(fout,"Ahlrichs-TZv 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2571 fprintf(fout,"Ahlrichs-VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2572 fprintf(fout,"Ahlrichs-VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2573 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2574 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2575 fprintf(fout,"DGauss-a2-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2576 fprintf(fout,"DGauss-a2-Xfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2577 fprintf(fout,"DZVP2-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2578 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2579 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2580 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2581 fprintf(fout,"H090503 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2582 fprintf(fout,"H120604 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2583 fprintf(fout,"HUZINAGA 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2584 fprintf(fout,"H 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2585 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2586 fprintf(fout,"P201209 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2587 fprintf(fout,"P 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2588 fprintf(fout,"PARTRIDG 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2589 fprintf(fout,"Partridge1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2590 fprintf(fout,"Partridge2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2591 fprintf(fout,"Partridge3 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2592 fprintf(fout,"ECP10MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2593 fprintf(fout,"ECP10MDF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2594 fprintf(fout,"ECP28MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2595 fprintf(fout,"ECP28SDF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2596 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2597 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2598 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2599 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2600 fprintf(fout,"STO6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2601 fprintf(fout,"Atom Ga\n");
2602 fprintf(fout,"39\n");
2603 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2604 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2605 fprintf(fout,"Ahlrichs-TZv 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2606 fprintf(fout,"Ahlrichs-VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2607 fprintf(fout,"Ahlrichs-VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2608 fprintf(fout,"aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2609 fprintf(fout,"AVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2610 fprintf(fout,"aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2611 fprintf(fout,"AVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2612 fprintf(fout,"aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2613 fprintf(fout,"AVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2614 fprintf(fout,"Binning-SV 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2615 fprintf(fout,"Binning-SVP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2616 fprintf(fout,"Binning-VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2617 fprintf(fout,"Binning-VTZP 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2618 fprintf(fout,"cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2619 fprintf(fout,"VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2620 fprintf(fout,"cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2621 fprintf(fout,"VQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2622 fprintf(fout,"cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2623 fprintf(fout,"VTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2624 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2625 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2626 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2627 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2628 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2629 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2630 fprintf(fout,"Partridge1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2631 fprintf(fout,"Partridge2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2632 fprintf(fout,"ECP28SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2633 fprintf(fout,"ECP28MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2634 fprintf(fout,"ECP18MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2635 fprintf(fout,"ECP10MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2636 fprintf(fout,"ECP10MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2637 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2638 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2639 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2640 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2641 fprintf(fout,"STO6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2642 fprintf(fout,"Atom Ge\n");
2643 fprintf(fout,"37\n");
2644 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2645 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2646 fprintf(fout,"Ahlrichs-TZv 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2647 fprintf(fout,"Ahlrichs-VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2648 fprintf(fout,"Ahlrichs-VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2649 fprintf(fout,"aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2650 fprintf(fout,"AVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2651 fprintf(fout,"aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2652 fprintf(fout,"AVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2653 fprintf(fout,"aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2654 fprintf(fout,"AVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2655 fprintf(fout,"Binning-SV 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2656 fprintf(fout,"Binning-SVP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2657 fprintf(fout,"Binning-VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2658 fprintf(fout,"Binning-VTZP 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2659 fprintf(fout,"cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2660 fprintf(fout,"VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2661 fprintf(fout,"cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2662 fprintf(fout,"VQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2663 fprintf(fout,"cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2664 fprintf(fout,"VTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2665 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2666 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2667 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2668 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2669 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2670 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2671 fprintf(fout,"Partridge1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2672 fprintf(fout,"Partridge2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2673 fprintf(fout,"ECP28SHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2674 fprintf(fout,"ECP28SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2675 fprintf(fout,"ECP28MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2676 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2677 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2678 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2679 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2680 fprintf(fout,"STO6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2681 fprintf(fout,"Atom As\n");
2682 fprintf(fout,"36\n");
2683 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2684 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2685 fprintf(fout,"Ahlrichs-TZv 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2686 fprintf(fout,"Ahlrichs-VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2687 fprintf(fout,"Ahlrichs-VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2688 fprintf(fout,"aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2689 fprintf(fout,"AVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2690 fprintf(fout,"aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2691 fprintf(fout,"AVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2692 fprintf(fout,"aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2693 fprintf(fout,"AVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2694 fprintf(fout,"Binning-SV 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2695 fprintf(fout,"Binning-SVP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2696 fprintf(fout,"Binning-VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2697 fprintf(fout,"Binning-VTZP 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2698 fprintf(fout,"cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2699 fprintf(fout,"VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2700 fprintf(fout,"cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2701 fprintf(fout,"VQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2702 fprintf(fout,"cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2703 fprintf(fout,"VTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2704 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2705 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2706 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2707 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2708 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2709 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2710 fprintf(fout,"Partridge1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2711 fprintf(fout,"Partridge2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2712 fprintf(fout,"ECP28SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2713 fprintf(fout,"ECP28MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2714 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2715 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2716 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2717 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2718 fprintf(fout,"STO6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2719 fprintf(fout,"Atom Se\n");
2720 fprintf(fout,"36\n");
2721 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2722 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2723 fprintf(fout,"Ahlrichs-TZv 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2724 fprintf(fout,"Ahlrichs-VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2725 fprintf(fout,"Ahlrichs-VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2726 fprintf(fout,"aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2727 fprintf(fout,"AVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2728 fprintf(fout,"aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2729 fprintf(fout,"AVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2730 fprintf(fout,"aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2731 fprintf(fout,"AVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2732 fprintf(fout,"Binning-SV 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2733 fprintf(fout,"Binning-SVP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2734 fprintf(fout,"Binning-VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2735 fprintf(fout,"Binning-VTZP 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2736 fprintf(fout,"cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2737 fprintf(fout,"VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2738 fprintf(fout,"cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2739 fprintf(fout,"VQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2740 fprintf(fout,"cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2741 fprintf(fout,"VTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2742 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2743 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2744 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2745 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2746 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2747 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2748 fprintf(fout,"Partridge1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2749 fprintf(fout,"Partridge2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2750 fprintf(fout,"ECP28SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2751 fprintf(fout,"ECP28MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2752 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2753 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2754 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2755 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2756 fprintf(fout,"STO6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2757 fprintf(fout,"Atom Br\n");
2758 fprintf(fout,"37\n");
2759 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2760 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2761 fprintf(fout,"Ahlrichs-TZv 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2762 fprintf(fout,"Ahlrichs-VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2763 fprintf(fout,"Ahlrichs-VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2764 fprintf(fout,"aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2765 fprintf(fout,"AVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2766 fprintf(fout,"aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2767 fprintf(fout,"AVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2768 fprintf(fout,"aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2769 fprintf(fout,"AVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2770 fprintf(fout,"Binning-SV 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2771 fprintf(fout,"Binning-SVP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2772 fprintf(fout,"Binning-VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2773 fprintf(fout,"Binning-VTZP 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2774 fprintf(fout,"cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2775 fprintf(fout,"VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2776 fprintf(fout,"cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2777 fprintf(fout,"VQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2778 fprintf(fout,"cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2779 fprintf(fout,"VTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2780 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2781 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2782 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2783 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2784 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2785 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2786 fprintf(fout,"midi-bang 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2787 fprintf(fout,"Partridge1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2788 fprintf(fout,"Partridge2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2789 fprintf(fout,"ECP28SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2790 fprintf(fout,"ECP28MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2791 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2792 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2793 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2794 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2795 fprintf(fout,"STO6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2796 fprintf(fout,"Atom Kr\n");
2797 fprintf(fout,"36\n");
2798 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2799 fprintf(fout,"Ahlrichs-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2800 fprintf(fout,"Ahlrichs-TZv 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2801 fprintf(fout,"Ahlrichs-VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2802 fprintf(fout,"Ahlrichs-VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2803 fprintf(fout,"aug-cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2804 fprintf(fout,"AVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2805 fprintf(fout,"aug-cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2806 fprintf(fout,"AVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2807 fprintf(fout,"aug-cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2808 fprintf(fout,"AVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2809 fprintf(fout,"Binning-SV 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2810 fprintf(fout,"Binning-SVP 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2811 fprintf(fout,"Binning-VTZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2812 fprintf(fout,"Binning-VTZP 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2813 fprintf(fout,"cc-pVDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2814 fprintf(fout,"VDZ 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2815 fprintf(fout,"cc-pVQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2816 fprintf(fout,"VQZ 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2817 fprintf(fout,"cc-pVTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2818 fprintf(fout,"VTZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2819 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2820 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2821 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2822 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2823 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2824 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2825 fprintf(fout,"Partridge1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2826 fprintf(fout,"Partridge2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2827 fprintf(fout,"ECP28MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2828 fprintf(fout,"ECP28MWB 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2829 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2830 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2831 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2832 fprintf(fout,"STO-6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2833 fprintf(fout,"STO6G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2834 fprintf(fout,"Atom Rb\n");
2835 fprintf(fout,"16\n");
2836 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2837 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2838 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2839 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2840 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2841 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2842 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2843 fprintf(fout,"MBS-ECP2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2844 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2845 fprintf(fout,"Partridge1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2846 fprintf(fout,"ECP36SHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2847 fprintf(fout,"ECP36SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2848 fprintf(fout,"ECP28MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2849 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2850 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2851 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2852 fprintf(fout,"Atom Sr\n");
2853 fprintf(fout,"19\n");
2854 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2855 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2856 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2857 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2858 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2859 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2860 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2861 fprintf(fout,"MBS-ECP2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2862 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2863 fprintf(fout,"Partridge1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2864 fprintf(fout,"ECP36SHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2865 fprintf(fout,"ECP36SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2866 fprintf(fout,"ECP28MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2867 fprintf(fout,"ECP28MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2868 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2869 fprintf(fout,"STO-2G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2870 fprintf(fout,"STO2G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2871 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2872 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2873 fprintf(fout,"Atom Y\n");
2874 fprintf(fout,"14\n");
2875 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2876 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2877 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2878 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2879 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2880 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2881 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2882 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2883 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2884 fprintf(fout,"ECP28MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2885 fprintf(fout,"ECP28MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2886 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2887 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2888 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2889 fprintf(fout,"Atom Zr\n");
2890 fprintf(fout,"14\n");
2891 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2892 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2893 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2894 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2895 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2896 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2897 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2898 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2899 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2900 fprintf(fout,"ECP28MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2901 fprintf(fout,"ECP28MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2902 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2903 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2904 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2905 fprintf(fout,"Atom Nb\n");
2906 fprintf(fout,"14\n");
2907 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2908 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2909 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2910 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2911 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2912 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2913 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2914 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2915 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2916 fprintf(fout,"ECP28MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2917 fprintf(fout,"ECP28MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2918 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2919 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2920 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2921 fprintf(fout,"Atom Mo\n");
2922 fprintf(fout,"14\n");
2923 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2924 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2925 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2926 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2927 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2928 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2929 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2930 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2931 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2932 fprintf(fout,"ECP28MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2933 fprintf(fout,"ECP28MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2934 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2935 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2936 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2937 fprintf(fout,"Atom Tc\n");
2938 fprintf(fout,"14\n");
2939 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2940 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2941 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2942 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2943 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2944 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2945 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2946 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2947 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2948 fprintf(fout,"ECP28MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2949 fprintf(fout,"ECP28MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2950 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2951 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2952 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2953 fprintf(fout,"Atom Ru\n");
2954 fprintf(fout,"14\n");
2955 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2956 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2957 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2958 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2959 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2960 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2961 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2962 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2963 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2964 fprintf(fout,"ECP28MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2965 fprintf(fout,"ECP28MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2966 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2967 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2968 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2969 fprintf(fout,"Atom Rh\n");
2970 fprintf(fout,"14\n");
2971 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2972 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2973 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2974 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2975 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2976 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2977 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2978 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2979 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2980 fprintf(fout,"ECP28MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2981 fprintf(fout,"ECP28MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2982 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2983 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2984 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2985 fprintf(fout,"Atom Pd\n");
2986 fprintf(fout,"14\n");
2987 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2988 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2989 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2990 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2991 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2992 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2993 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2994 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2995 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2996 fprintf(fout,"ECP28MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2997 fprintf(fout,"ECP28MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2998 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
2999 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3000 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3001 fprintf(fout,"Atom Ag\n");
3002 fprintf(fout,"16\n");
3003 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3004 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3005 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3006 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3007 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3008 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3009 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3010 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3011 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3012 fprintf(fout,"ECP28MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3013 fprintf(fout,"ECP28MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3014 fprintf(fout,"ECP46SHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3015 fprintf(fout,"ECP46SDF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3016 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3017 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3018 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3019 fprintf(fout,"Atom Cd\n");
3020 fprintf(fout,"14\n");
3021 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3022 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3023 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3024 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3025 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3026 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3027 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3028 fprintf(fout,"ECP28MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3029 fprintf(fout,"ECP28MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3030 fprintf(fout,"ECP46SDF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3031 fprintf(fout,"ECP46MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3032 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3033 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3034 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3035 fprintf(fout,"Atom In\n");
3036 fprintf(fout,"15\n");
3037 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3038 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3039 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3040 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3041 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3042 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3043 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3044 fprintf(fout,"ECP46SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3045 fprintf(fout,"ECP46MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3046 fprintf(fout,"ECP36MWB 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3047 fprintf(fout,"ECP28MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3048 fprintf(fout,"ECP28MWB 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3049 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3050 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3051 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3052 fprintf(fout,"Atom Sn\n");
3053 fprintf(fout,"12\n");
3054 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3055 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3056 fprintf(fout,"DGauss-a1-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3057 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3058 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3059 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3060 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3061 fprintf(fout,"ECP46SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3062 fprintf(fout,"ECP46MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3063 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3064 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3065 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3066 fprintf(fout,"Atom Sb\n");
3067 fprintf(fout,"11\n");
3068 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3069 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3070 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3071 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3072 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3073 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3074 fprintf(fout,"ECP46SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3075 fprintf(fout,"ECP46MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3076 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3077 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3078 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3079 fprintf(fout,"Atom Te\n");
3080 fprintf(fout,"11\n");
3081 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3082 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3083 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3084 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3085 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3086 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3087 fprintf(fout,"ECP46SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3088 fprintf(fout,"ECP46MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3089 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3090 fprintf(fout,"STO-3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3091 fprintf(fout,"STO3G 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3092 fprintf(fout,"Atom I\n");
3093 fprintf(fout,"11\n");
3094 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3095 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3096 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3097 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3098 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3099 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3100 fprintf(fout,"midi-bang 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3101 fprintf(fout,"ECP46SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3102 fprintf(fout,"ECP46MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3103 fprintf(fout,"ECP46MDF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3104 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3105 fprintf(fout,"Atom Xe\n");
3106 fprintf(fout,"9\n");
3107 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3108 fprintf(fout,"DeMon-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3109 fprintf(fout,"DZVP-DFT-orb 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3110 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3111 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3112 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3113 fprintf(fout,"ECP46MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3114 fprintf(fout,"ECP46MWB 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3115 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3116 fprintf(fout,"Atom Cs\n");
3117 fprintf(fout,"10\n");
3118 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3119 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3120 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3121 fprintf(fout,"MBS-ECP2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3122 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3123 fprintf(fout,"midi 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3124 fprintf(fout,"ECP54SHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3125 fprintf(fout,"ECP54SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3126 fprintf(fout,"ECP46MWB 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3127 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3128 fprintf(fout,"Atom Ba\n");
3129 fprintf(fout,"12\n");
3130 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3131 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3132 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3133 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3134 fprintf(fout,"MBS-ECP2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3135 fprintf(fout,"LANL2DZ 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3136 fprintf(fout,"ECP54SDF 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3137 fprintf(fout,"ECP46MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3138 fprintf(fout,"ECP46MHF_MP2 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3139 fprintf(fout,"ECP46MWB 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3140 fprintf(fout,"ECP46MWB_MP2 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3141 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3142 fprintf(fout,"Atom La\n");
3143 fprintf(fout,"10\n");
3144 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3145 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3146 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3147 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3148 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3149 fprintf(fout,"ECP46MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3150 fprintf(fout,"ECP46MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3151 fprintf(fout,"ECP47MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3152 fprintf(fout,"ECP47MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3153 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3154 fprintf(fout,"Atom Ce\n");
3155 fprintf(fout,"8\n");
3156 fprintf(fout,"ECP28MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3157 fprintf(fout,"ECP28MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3158 fprintf(fout,"ECP46MWB 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3159 fprintf(fout,"ECP47MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3160 fprintf(fout,"ECP47MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3161 fprintf(fout,"ECP48MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3162 fprintf(fout,"ECP48MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3163 fprintf(fout,"SBKJC 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3164 fprintf(fout,"Atom Pr\n");
3165 fprintf(fout,"6\n");
3166 fprintf(fout,"ECP28MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3167 fprintf(fout,"ECP28MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3168 fprintf(fout,"ECP48MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3169 fprintf(fout,"ECP48MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3170 fprintf(fout,"ECP49MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3171 fprintf(fout,"ECP49MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3172 fprintf(fout,"Atom Nd\n");
3173 fprintf(fout,"6\n");
3174 fprintf(fout,"ECP28MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3175 fprintf(fout,"ECP28MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3176 fprintf(fout,"ECP49MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3177 fprintf(fout,"ECP49MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3178 fprintf(fout,"ECP50MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3179 fprintf(fout,"ECP50MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3180 fprintf(fout,"Atom Pm\n");
3181 fprintf(fout,"6\n");
3182 fprintf(fout,"ECP28MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3183 fprintf(fout,"ECP28MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3184 fprintf(fout,"ECP50MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3185 fprintf(fout,"ECP50MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3186 fprintf(fout,"ECP51MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3187 fprintf(fout,"ECP51MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3188 fprintf(fout,"Atom Sm\n");
3189 fprintf(fout,"6\n");
3190 fprintf(fout,"ECP28MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3191 fprintf(fout,"ECP28MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3192 fprintf(fout,"ECP51MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3193 fprintf(fout,"ECP51MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3194 fprintf(fout,"ECP52MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3195 fprintf(fout,"ECP52MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3196 fprintf(fout,"Atom Eu\n");
3197 fprintf(fout,"6\n");
3198 fprintf(fout,"ECP28MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3199 fprintf(fout,"ECP28MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3200 fprintf(fout,"ECP52MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3201 fprintf(fout,"ECP52MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3202 fprintf(fout,"ECP53MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3203 fprintf(fout,"ECP53MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3204 fprintf(fout,"Atom Gd\n");
3205 fprintf(fout,"6\n");
3206 fprintf(fout,"ECP28MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3207 fprintf(fout,"ECP28MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3208 fprintf(fout,"ECP53MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3209 fprintf(fout,"ECP53MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3210 fprintf(fout,"ECP54MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3211 fprintf(fout,"ECP54MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3212 fprintf(fout,"Atom Tb\n");
3213 fprintf(fout,"6\n");
3214 fprintf(fout,"ECP28MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3215 fprintf(fout,"ECP28MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3216 fprintf(fout,"ECP54MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3217 fprintf(fout,"ECP54MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3218 fprintf(fout,"ECP55MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3219 fprintf(fout,"ECP55MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3220 fprintf(fout,"Atom Dy\n");
3221 fprintf(fout,"6\n");
3222 fprintf(fout,"ECP28MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3223 fprintf(fout,"ECP28MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3224 fprintf(fout,"ECP55MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3225 fprintf(fout,"ECP55MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3226 fprintf(fout,"ECP56MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3227 fprintf(fout,"ECP56MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3228 fprintf(fout,"Atom Ho\n");
3229 fprintf(fout,"6\n");
3230 fprintf(fout,"ECP28MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3231 fprintf(fout,"ECP28MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3232 fprintf(fout,"ECP56MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3233 fprintf(fout,"ECP56MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3234 fprintf(fout,"ECP57MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3235 fprintf(fout,"ECP57MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3236 fprintf(fout,"Atom Er\n");
3237 fprintf(fout,"6\n");
3238 fprintf(fout,"ECP28MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3239 fprintf(fout,"ECP28MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3240 fprintf(fout,"ECP57MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3241 fprintf(fout,"ECP57MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3242 fprintf(fout,"ECP58MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3243 fprintf(fout,"ECP58MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3244 fprintf(fout,"Atom Tm\n");
3245 fprintf(fout,"6\n");
3246 fprintf(fout,"ECP28MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3247 fprintf(fout,"ECP28MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3248 fprintf(fout,"ECP58MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3249 fprintf(fout,"ECP58MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3250 fprintf(fout,"ECP59MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3251 fprintf(fout,"ECP59MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3252 fprintf(fout,"Atom Yb\n");
3253 fprintf(fout,"9\n");
3254 fprintf(fout,"ECP28MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3255 fprintf(fout,"ECP28MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3256 fprintf(fout,"ECP28FMD 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3257 fprintf(fout,"ECP59MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3258 fprintf(fout,"ECP59MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3259 fprintf(fout,"ECP60MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3260 fprintf(fout,"ECP60MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3261 fprintf(fout,"ECP60MDF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3262 fprintf(fout,"ECP68MDF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3263 fprintf(fout,"Atom Lu\n");
3264 fprintf(fout,"2\n");
3265 fprintf(fout,"ECP60MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3266 fprintf(fout,"ECP60MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3267 fprintf(fout,"Atom Hf\n");
3268 fprintf(fout,"9\n");
3269 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3270 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3271 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3272 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3273 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3274 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3275 fprintf(fout,"ECP60MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3276 fprintf(fout,"ECP60MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3277 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3278 fprintf(fout,"Atom Ta\n");
3279 fprintf(fout,"9\n");
3280 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3281 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3282 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3283 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3284 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3285 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3286 fprintf(fout,"ECP60MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3287 fprintf(fout,"ECP60MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3288 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3289 fprintf(fout,"Atom W\n");
3290 fprintf(fout,"9\n");
3291 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3292 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3293 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3294 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3295 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3296 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3297 fprintf(fout,"ECP60MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3298 fprintf(fout,"ECP60MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3299 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3300 fprintf(fout,"Atom Re\n");
3301 fprintf(fout,"9\n");
3302 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3303 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3304 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3305 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3306 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3307 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3308 fprintf(fout,"ECP60MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3309 fprintf(fout,"ECP60MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3310 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3311 fprintf(fout,"Atom Os\n");
3312 fprintf(fout,"9\n");
3313 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3314 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3315 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3316 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3317 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3318 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3319 fprintf(fout,"ECP60MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3320 fprintf(fout,"ECP60MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3321 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3322 fprintf(fout,"Atom Ir\n");
3323 fprintf(fout,"9\n");
3324 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3325 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3326 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3327 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3328 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3329 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3330 fprintf(fout,"ECP60MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3331 fprintf(fout,"ECP60MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3332 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3333 fprintf(fout,"Atom Pt\n");
3334 fprintf(fout,"8\n");
3335 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3336 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3337 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3338 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3339 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3340 fprintf(fout,"ECP60MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3341 fprintf(fout,"ECP60MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3342 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3343 fprintf(fout,"Atom Au\n");
3344 fprintf(fout,"14\n");
3345 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3346 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3347 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3348 fprintf(fout,"ECP2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3349 fprintf(fout,"MBS-ECP2 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3350 fprintf(fout,"LANL2DZ 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3351 fprintf(fout,"ECP60MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3352 fprintf(fout,"ECP60MHF_MP2 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3353 fprintf(fout,"ECP60MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3354 fprintf(fout,"ECP60MWB_MP2 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3355 fprintf(fout,"ECP60MDF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3356 fprintf(fout,"ECP78SHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3357 fprintf(fout,"ECP78SDF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3358 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3359 fprintf(fout,"Atom Hg\n");
3360 fprintf(fout,"11\n");
3361 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3362 fprintf(fout,"ECP1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3363 fprintf(fout,"MBS-ECP1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3364 fprintf(fout,"ECP60MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3365 fprintf(fout,"ECP60MHF_MP2 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3366 fprintf(fout,"ECP60MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3367 fprintf(fout,"ECP60MWB_MP2 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3368 fprintf(fout,"ECP60MDF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3369 fprintf(fout,"ECP78MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3370 fprintf(fout,"ECP78MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3371 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3372 fprintf(fout,"Atom Tl\n");
3373 fprintf(fout,"11\n");
3374 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3375 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3376 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3377 fprintf(fout,"ECP78MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3378 fprintf(fout,"ECP78MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3379 fprintf(fout,"ECP68MWB 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3380 fprintf(fout,"ECP60MHF 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3381 fprintf(fout,"ECP60MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3382 fprintf(fout,"ECP60MWB_MP2 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3383 fprintf(fout,"ECP60MDF 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3384 fprintf(fout,"SBKJC 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3385 fprintf(fout,"Atom Pb\n");
3386 fprintf(fout,"6\n");
3387 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3388 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3389 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3390 fprintf(fout,"ECP78MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3391 fprintf(fout,"ECP78MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3392 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3393 fprintf(fout,"Atom Bi\n");
3394 fprintf(fout,"6\n");
3395 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3396 fprintf(fout,"ECP1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3397 fprintf(fout,"MBS-ECP1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3398 fprintf(fout,"ECP78MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3399 fprintf(fout,"ECP78MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3400 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3401 fprintf(fout,"Atom Po\n");
3402 fprintf(fout,"4\n");
3403 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3404 fprintf(fout,"ECP78MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3405 fprintf(fout,"ECP78MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3406 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3407 fprintf(fout,"Atom At\n");
3408 fprintf(fout,"4\n");
3409 fprintf(fout,"Ahlrichs-Cfit 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3410 fprintf(fout,"ECP78MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3411 fprintf(fout,"ECP78MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3412 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3413 fprintf(fout,"Atom Rn\n");
3414 fprintf(fout,"3\n");
3415 fprintf(fout,"ECP78MHF 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3416 fprintf(fout,"ECP78MWB 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3417 fprintf(fout,"SBKJC 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3418 fprintf(fout,"Atom Ac\n");
3419 fprintf(fout,"3\n");
3420 fprintf(fout,"ECP60MHF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3421 fprintf(fout,"ECP60MWB 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3422 fprintf(fout,"ECP78MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3423 fprintf(fout,"Atom Th\n");
3424 fprintf(fout,"3\n");
3425 fprintf(fout,"ECP60MHF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3426 fprintf(fout,"ECP60MWB 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3427 fprintf(fout,"ECP78MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3428 fprintf(fout,"Atom Pa\n");
3429 fprintf(fout,"3\n");
3430 fprintf(fout,"ECP60MHF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3431 fprintf(fout,"ECP60MWB 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3432 fprintf(fout,"ECP78MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3433 fprintf(fout,"Atom U\n");
3434 fprintf(fout,"4\n");
3435 fprintf(fout,"LANL2DZ 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3436 fprintf(fout,"ECP60MHF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3437 fprintf(fout,"ECP60MWB 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3438 fprintf(fout,"ECP78MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3439 fprintf(fout,"Atom Np\n");
3440 fprintf(fout,"4\n");
3441 fprintf(fout,"LANL2DZ 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3442 fprintf(fout,"ECP60MHF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3443 fprintf(fout,"ECP60MWB 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3444 fprintf(fout,"ECP78MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3445 fprintf(fout,"Atom Pu\n");
3446 fprintf(fout,"4\n");
3447 fprintf(fout,"LANL2DZ 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3448 fprintf(fout,"ECP60MHF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3449 fprintf(fout,"ECP60MWB 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3450 fprintf(fout,"ECP78MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3451 fprintf(fout,"Atom Am\n");
3452 fprintf(fout,"3\n");
3453 fprintf(fout,"ECP60MHF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3454 fprintf(fout,"ECP60MWB 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3455 fprintf(fout,"ECP78MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3456 fprintf(fout,"Atom Cm\n");
3457 fprintf(fout,"3\n");
3458 fprintf(fout,"ECP60MHF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3459 fprintf(fout,"ECP60MWB 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3460 fprintf(fout,"ECP78MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3461 fprintf(fout,"Atom Bk\n");
3462 fprintf(fout,"3\n");
3463 fprintf(fout,"ECP60MHF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3464 fprintf(fout,"ECP60MWB 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3465 fprintf(fout,"ECP78MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3466 fprintf(fout,"Atom Cf\n");
3467 fprintf(fout,"3\n");
3468 fprintf(fout,"ECP60MHF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3469 fprintf(fout,"ECP60MWB 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3470 fprintf(fout,"ECP78MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3471 fprintf(fout,"Atom Es\n");
3472 fprintf(fout,"3\n");
3473 fprintf(fout,"ECP60MHF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3474 fprintf(fout,"ECP60MWB 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3475 fprintf(fout,"ECP78MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3476 fprintf(fout,"Atom Fm\n");
3477 fprintf(fout,"3\n");
3478 fprintf(fout,"ECP60MHF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3479 fprintf(fout,"ECP60MWB 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3480 fprintf(fout,"ECP78MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3481 fprintf(fout,"Atom Md\n");
3482 fprintf(fout,"3\n");
3483 fprintf(fout,"ECP60MHF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3484 fprintf(fout,"ECP60MWB 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3485 fprintf(fout,"ECP78MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3486 fprintf(fout,"Atom No\n");
3487 fprintf(fout,"3\n");
3488 fprintf(fout,"ECP60MHF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3489 fprintf(fout,"ECP60MWB 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3490 fprintf(fout,"ECP78MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3491 fprintf(fout,"Atom Lr\n");
3492 fprintf(fout,"3\n");
3493 fprintf(fout,"ECP60MHF 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3494 fprintf(fout,"ECP60MWB 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3495 fprintf(fout,"ECP78MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3496 fprintf(fout,"Atom Ha\n");
3497 fprintf(fout,"3\n");
3498 fprintf(fout,"ECP92MHF 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3499 fprintf(fout,"ECP92MDF 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3500 fprintf(fout,"ECP92MWB 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 \n");
3501 fclose(fout);
3502 return TRUE;
3503 }
3504 /********************************************************************************/
3505