1$Basis = SVP+Diffuse(Dunning-Hay)
2$
3$ Elements supported
4$ H Li Be B C N O F Ne
5$
6$  REFERENCE
7$  T.H. DUNNING JR. AND P.J. HAY, IN METHODS OF ELECTRONIC STRUCTURE THEORY,
8$  VOL. 2, H.F. SCHAEFER III, ED., PLENUM PRESS (1977).
9$
10$  POLARIZATION AND/OR DIFFUSE FUNCTIONS
11$  H - F: T.H. DUNNING JR. AND P.J. HAY, IN METHODS OF ELECTRONIC STRUCTURE
12$              THEORY VOL. 2, H.F. SCHAEFER III, ED., PLENUM PRESS (1977).
13$  Si - Cl:    E. MAGNUSSON AND H.F. SCHAEFER III, JCP 83, 5721 (1985).
14$
15$  POLARIZATION AND/OR DIFFUSE FUNCTIONS
16$  T.H. DUNNING JR. AND P.J. HAY, IN METHODS OF ELECTRONIC STRUCTURE THEORY,
17$  VOL. 2, H.F. SCHAEFER III, ED., PLENUM PRESS (1977).
18$***********************************************************************
19a 1
20$ HYDROGEN     (4s) -> [2s]
21$ HYDROGEN     (1p)
22$ HYDROGEN     Diffuse (1s)
23$ S-TYPE FUNCTIONS
24    5    3    0
25     19.2384000  0.03282800  0.00000000  0.00000000
26      2.8987000  0.23120400  0.00000000  0.00000000
27      0.6535000  0.81722600  0.00000000  0.00000000
28      0.1776000  0.00000000  1.00000000  0.00000000
29      0.0482730  0.00000000  0.00000000  1.00000000
30$ P-TYPE FUNCTIONS
31    1    1    0
32      1.0000000  1.00000000
33a 3
34$ LITHIUM      (9s,4p) -> [3s,2p]
35$ LITHIUM      (1d)
36$ LITHIUM      Diffuse (1s,1p)
37$ S-TYPE FUNCTIONS
38   11    4    0
39    921.3000000  0.00136700  0.00000000  0.00000000  0.00000000
40    138.7000000  0.01042500  0.00000000  0.00000000  0.00000000
41     31.9400000  0.04985900  0.00000000  0.00000000  0.00000000
42      9.3530000  0.16070100  0.00000000  0.00000000  0.00000000
43      3.1580000  0.34460400  0.00000000  0.00000000  0.00000000
44      1.1570000  0.42519700  0.00000000  0.00000000  0.00000000
45      0.4446000  0.16946800  0.00000000  0.00000000  0.00000000
46      0.4446000  0.00000000 -0.22231100  0.00000000  0.00000000
47      0.0766600  0.00000000  1.11647700  0.00000000  0.00000000
48      0.0286400  0.00000000  0.00000000  1.00000000  0.00000000
49      0.0107000  0.00000000  0.00000000  0.00000000  1.00000000
50$ P-TYPE FUNCTIONS
51    5    3    0
52      1.4880000  0.03877000  0.00000000  0.00000000
53      0.2667000  0.23625700  0.00000000  0.00000000
54      0.0720100  0.83044800  0.00000000  0.00000000
55      0.0237000  0.00000000  1.00000000  0.00000000
56      0.0078000  0.00000000  0.00000000  1.00000000
57$ D-TYPE FUNCTIONS
58    1    1    0
59      0.2000000  1.00000000
60a 4
61$ BERYLLIUM    (9s,5p) -> [3s,2p]
62$ BERYLLIUM    (1d)
63$ BERYLLIUM    Diffuse (1p)
64$ S-TYPE FUNCTIONS
65   10    3    0
66   1741.0000000  0.00130500  0.00000000  0.00000000
67    262.1000000  0.00995500  0.00000000  0.00000000
68     60.3300000  0.04803100  0.00000000  0.00000000
69     17.6200000  0.15857700  0.00000000  0.00000000
70      5.9330000  0.35132500  0.00000000  0.00000000
71      2.1850000  0.42700600  0.00000000  0.00000000
72      0.8590000  0.16049000  0.00000000  0.00000000
73      2.1850000  0.00000000 -0.18529400  0.00000000
74      0.1806000  0.00000000  1.05701400  0.00000000
75      0.0583500  0.00000000  0.00000000  1.00000000
76$ P-TYPE FUNCTIONS
77    6    3    0
78      6.7100000  0.01637800  0.00000000  0.00000000
79      1.4420000  0.09155300  0.00000000  0.00000000
80      0.4103000  0.34146900  0.00000000  0.00000000
81      0.1397000  0.68542800  0.00000000  0.00000000
82      0.0492200  0.00000000  1.00000000  0.00000000
83      0.0173420  0.00000000  0.00000000  1.00000000
84$ D-TYPE FUNCTIONS
85    1    1    0
86      0.4000000  1.00000000
87a 5
88$ BORON        (9s,5p) -> [3s,2p]
89$ BORON        (1d)
90$ BORON        Diffuse (1p)
91$ S-TYPE FUNCTIONS
92   10    3    0
93   2788.0000000  0.00128800  0.00000000  0.00000000
94    419.0000000  0.00983500  0.00000000  0.00000000
95     96.4700000  0.04764800  0.00000000  0.00000000
96     28.0700000  0.16006900  0.00000000  0.00000000
97      9.3760000  0.36289400  0.00000000  0.00000000
98      3.4060000  0.43358200  0.00000000  0.00000000
99      1.3060000  0.14008200  0.00000000  0.00000000
100      3.4060000  0.00000000 -0.17933000  0.00000000
101      0.3245000  0.00000000  1.06259400  0.00000000
102      0.1022000  0.00000000  0.00000000  1.00000000
103$ P-TYPE FUNCTIONS
104    6    3    0
105     11.3400000  0.01798800  0.00000000  0.00000000
106      2.4360000  0.11034300  0.00000000  0.00000000
107      0.6836000  0.38307200  0.00000000  0.00000000
108      0.2134000  0.64789500  0.00000000  0.00000000
109      0.0701100  0.00000000  1.00000000  0.00000000
110      0.0190000  0.00000000  0.00000000  1.00000000
111$ D-TYPE FUNCTIONS
112    1    1    0
113      0.7000000  1.00000000
114a 6
115$ CARBON       (9s,5p) -> [3s,2p]
116$ CARBON       (1d)
117$ CARBON       Diffuse (1p)
118$ S-TYPE FUNCTIONS
119   10    3    0
120   4233.0000000  0.00122000  0.00000000  0.00000000
121    634.9000000  0.00934200  0.00000000  0.00000000
122    146.1000000  0.04545200  0.00000000  0.00000000
123     42.5000000  0.15465700  0.00000000  0.00000000
124     14.1900000  0.35886600  0.00000000  0.00000000
125      5.1480000  0.43863200  0.00000000  0.00000000
126      1.9670000  0.14591800  0.00000000  0.00000000
127      5.1480000  0.00000000 -0.16836700  0.00000000
128      0.4962000  0.00000000  1.06009100  0.00000000
129      0.1533000  0.00000000  0.00000000  1.00000000
130$ P-TYPE FUNCTIONS
131    6    3    0
132     18.1600000  0.01853900  0.00000000  0.00000000
133      3.9860000  0.11543600  0.00000000  0.00000000
134      1.1430000  0.38618800  0.00000000  0.00000000
135      0.3594000  0.64011400  0.00000000  0.00000000
136      0.1146000  0.00000000  1.00000000  0.00000000
137      0.0340000  0.00000000  0.00000000  1.00000000
138$ D-TYPE FUNCTIONS
139    1    1    0
140      0.7500000  1.00000000
141a 7
142$ NITROGEN     (9s,5p) -> [3s,2p]
143$ NITROGEN     (1d)
144$ NITROGEN     Diffuse (1p)
145$ S-TYPE FUNCTIONS
146   10    3    0
147   5909.0000000  0.00119000  0.00000000  0.00000000
148    887.5000000  0.00909900  0.00000000  0.00000000
149    204.7000000  0.04414500  0.00000000  0.00000000
150     59.8400000  0.15046400  0.00000000  0.00000000
151     20.0000000  0.35674100  0.00000000  0.00000000
152      7.1930000  0.44653300  0.00000000  0.00000000
153      2.6860000  0.14560300  0.00000000  0.00000000
154      7.1930000  0.00000000 -0.16040500  0.00000000
155      0.7000000  0.00000000  1.05821500  0.00000000
156      0.2133000  0.00000000  0.00000000  1.00000000
157$ P-TYPE FUNCTIONS
158    6    3    0
159     26.7900000  0.01825400  0.00000000  0.00000000
160      5.9560000  0.11646100  0.00000000  0.00000000
161      1.7070000  0.39017800  0.00000000  0.00000000
162      0.5314000  0.63710200  0.00000000  0.00000000
163      0.1654000  0.00000000  1.00000000  0.00000000
164      0.0480000  0.00000000  0.00000000  1.00000000
165$ D-TYPE FUNCTIONS
166    1    1    0
167      0.8000000  1.00000000
168a 8
169$ OXYGEN       (9s,5p) -> [3s,2p]
170$ OXYGEN       (1d)
171$ OXYGEN       Diffuse (1p)
172$ S-TYPE FUNCTIONS
173   10    3    0
174   7817.0000000  0.00117600  0.00000000  0.00000000
175   1176.0000000  0.00896800  0.00000000  0.00000000
176    273.2000000  0.04286800  0.00000000  0.00000000
177     81.1700000  0.14393000  0.00000000  0.00000000
178     27.1800000  0.35563000  0.00000000  0.00000000
179      9.5320000  0.46124800  0.00000000  0.00000000
180      3.4140000  0.14020600  0.00000000  0.00000000
181      9.5320000  0.00000000 -0.15415300  0.00000000
182      0.9398000  0.00000000  1.05691400  0.00000000
183      0.2846000  0.00000000  0.00000000  1.00000000
184$ P-TYPE FUNCTIONS
185    6    3    0
186     35.1800000  0.01958000  0.00000000  0.00000000
187      7.9040000  0.12420000  0.00000000  0.00000000
188      2.3050000  0.39471400  0.00000000  0.00000000
189      0.7171000  0.62737600  0.00000000  0.00000000
190      0.2137000  0.00000000  1.00000000  0.00000000
191      0.0590000  0.00000000  0.00000000  1.00000000
192$ D-TYPE FUNCTIONS
193    1    1    0
194      0.8500000  1.00000000
195a 9
196$ FLUORINE     (9s,5p) -> [3s,2p]
197$ FLUORINE     (1d)
198$ FLUORINE     Diffuse (1p)
199$ S-TYPE FUNCTIONS
200   10    3    0
201   9995.0000000  0.00116000  0.00000000  0.00000000
202   1506.0000000  0.00887000  0.00000000  0.00000000
203    350.3000000  0.04238000  0.00000000  0.00000000
204    104.1000000  0.14292900  0.00000000  0.00000000
205     34.8400000  0.35537200  0.00000000  0.00000000
206     12.2200000  0.46208500  0.00000000  0.00000000
207      4.3690000  0.14084800  0.00000000  0.00000000
208     12.2200000  0.00000000 -0.14845200  0.00000000
209      1.2080000  0.00000000  1.05527000  0.00000000
210      0.3634000  0.00000000  0.00000000  1.00000000
211$ P-TYPE FUNCTIONS
212    6    3    0
213     44.3600000  0.02087600  0.00000000  0.00000000
214     10.0800000  0.13010700  0.00000000  0.00000000
215      2.9960000  0.39616600  0.00000000  0.00000000
216      0.9383000  0.62040400  0.00000000  0.00000000
217      0.2733000  0.00000000  1.00000000  0.00000000
218      0.0740000  0.00000000  0.00000000  1.00000000
219$ D-TYPE FUNCTIONS
220    1    1    0
221      0.9000000  1.00000000
222a 10
223$ NEON         (9s,5p) -> [3s,2p]
224$ NEON         (1d)
225$ NEON         Diffuse (1p)
226$ S-TYPE FUNCTIONS
227   10    3    0
228  12100.0000000  0.00120000  0.00000000  0.00000000
229   1821.0000000  0.00909200  0.00000000  0.00000000
230    432.8000000  0.04130500  0.00000000  0.00000000
231    132.5000000  0.13786700  0.00000000  0.00000000
232     43.7700000  0.36243300  0.00000000  0.00000000
233     14.9100000  0.47224700  0.00000000  0.00000000
234      5.1270000  0.13003500  0.00000000  0.00000000
235     14.9100000  0.00000000 -0.14081000  0.00000000
236      1.4910000  0.00000000  1.05332700  0.00000000
237      0.4468000  0.00000000  0.00000000  1.00000000
238$ P-TYPE FUNCTIONS
239    6    3    0
240     56.4500000  0.02087500  0.00000000  0.00000000
241     12.9200000  0.13003200  0.00000000  0.00000000
242      3.8650000  0.39567900  0.00000000  0.00000000
243      1.2030000  0.62145000  0.00000000  0.00000000
244      0.3444000  0.00000000  1.00000000  0.00000000
245      0.0890000  0.00000000  0.00000000  1.00000000
246$ D-TYPE FUNCTIONS
247    1    1    0
248      0.9500000  1.00000000
249
250
251