1################################################
2#                                              #
3#   Prediction of IP for Halogens family       #
4#                                              #
5################################################
6
7# HOSECode(CDK) Energy(eV-NIST)
8
9# ------------------------------------------------
10I-1;(//)//////   10.386
11Br-1;(//)//////   11.68
12Br-1;C(*C*C/H,H,*C,*C/H,H,*C,*&)*&C/,HHH/////    8.68
13Cl-1;C(*C*C/H,H,*C,*C/H,H,*C,*&)*&C/,HHH/////    8.69
14Br-1;C(HHC/HHC/HHH)   10.18
15I-1;C(HHC/HHC/HHH)    9.26
16Cl-1;C(*C*C/H,H*C,*C/*CC,H*&)H*&,HHH//////    8.7
17Br-1;C(HCC/HH,HH,C,C/HH,HH,C,&)HH&//////    9.87
18Br-1;C(*C*C/H,H,*C,*C/H,H,*C,*&)H*&//////    9.0
19Cl-1;C(*C*C/H,H,*C,*C/H,H,*C,*&)H*&//////    9.07
20Br-1;C(HHC/HHC/HHC)HHH/   10.13
21Cl-1;C(HHC/HHC/HHC)HHH/   10.64
22Br-1;C(HHC/HHC/HHC)HHC/HHH/   10.1
23Br-1;C(HHC/HHC/HHC)HHC/HHC/HHH/   10.06
24Br-1;C(HHC/HHC/HHC)HHC/HHC/HHC/HHC/HHH/    9.54
25Cl-1;C(HHC/HHC/HHC)HHC/HHC/HHC/HHC/HHH/   10.1
26Cl-1;C(HYY/,/)   10.59
27F-1;C(HHH//)   10.06
28Br-1;C(CCC/HH,HH,HHC,C,C/H&&,HH,HH,&,&)//////    9.76
29Br-1;(//)//////   11.673
30Cl-1;C(HHY//)   10.0
31Br-1;C(HCC/HH,HH,C,C/HH,HH&,&)//////    9.94
32I-1;(//)//////   10.387
33Br-1;C(HHY//)    8.3
34I-1;C(HCC/HH,HH,C,C/HH,HH&,&)//////    9.076
35Br-1;C(*C*C/*C,*C,*C,*C/*C,*C,*C,*&,H,H,*C,*C)H,H,H*&,*C,*C,H,H,*&,*&/,H,H,*&,*&/////    7.48
36Cl-1;C(HHX//)    9.27
37Br-1;C(HHH//)    8.61
38I-1;C(HH//)    8.4
39F-1;C(HCC/H,H,C,C,C,C/HH,HH,HH,HH,C,&,C,&)H,H,&,&,C,&/,HH&/////    9.46
40F-1;C(HHX//)   12.0
41F-1;C(FX/,/)   13.0
42F-1;C(XX/,/)   12.0
43Cl-1;C(*C*C/H,H,*C,*C/H,H,*C,*&)*&C/,HCC/,HH,HH&,&////    8.64
44F-1;C(*C*C/H,H,*C,*C/H,H,*C,*&)*&C/,HHC/,HHC/,HHC/,HHH//    9.2
45Cl-1;C(HHH//)    9.84
46F-1;C(HHF//)   11.44
47Cl-1;(//)//////   12.97
48F-1;C(FF/,/)    8.5
49F-1;C(FFI/,,/)   10.28
50F-1;C(=CX/HH,/)   10.7
51F-1;C(CF/HHH,/)    7.92
52F-1;C(HHF//)    9.45
53F-1;C(FY/,/)   13.0
54Br-1;C(*C*C/H,H,*C,*C/H,H,*C,*&)*&//////    9.04
55I-1;C(HCC/HCC,HHC/HH,HH&,C,H&&),HH&//////    9.0
56I-1;C(*C*C/*C,*C,C,C/H,H,*C,*&,CCC,CCC)*&C,HHH,HHH,HHH,HHH,HHH,HHH/,CCC/,HHH,HHH,HHH////    8.0
57Cl-1;C(XX/,/)    8.109
58Br-1;C(CCC/H,H&,&C,C,HHC/,HH,HH,&,&,H&&)//////    9.22
59F-1;C(*C*C/*C*C,H*C/*C*C,H*C,H*&)H,H,*&,*C,H*&/,H*&/////    8.15
60F-1;C(*C*C/H,H*C,*C/*C*C,H*&)*&*C,H*C/,H*C,H*&/,H*&////    8.23
61F-1;C(CFF/HHH,,/)   10.6
62F-1;C(HHX//)    8.37
63Cl-1;C(HCC/HH,HH,C,C/HH,HH,C,C)HH,HH,C,C/HH,HH,C,C/HH,HH,C,&/HH&///    9.04
64Cl-1;C(HHX//)    8.32
65Cl-1;C(YY/,/)   14.0
66F-1;C(*C*C/H,H,*C,*C/H,H,*C,*&)*&C/,HHH/////    8.79
67F-1;C(*C*C/H,H*C,*C/*CC,H*&)H*&,HHH//////    8.91
68F-1;C(HHC/HHH/)   12.43
69F-1;C(YYY/,,/)   10.67
70F-1;C(FXY/,,/)   11.21
71I-1;C(*C*C/H,H,*C,*C/H,H,*C,*&)*&C/,CCC/,HHH,HHH,HHH////    8.35
72F-1;C(HHH//)    9.04
73Cl-1;C(*C*C/H,H,*C,*C/H,H,*C,*&)*&C/,CCC/,HHH,HHH,HHH////    8.56
74Br-1;C(*C*C/H,H,*C,*C/H,H,*C,*&)*&C/,CCC/,HHH,HHH,HHH////    8.5
75Br-1;C(*C*C/*C,*C,C,C/H,H,*C,*&,CCC,CCC)*&C,HHH,HHH,HHH,HHH,HHH,HHH/,CCC/,HHH,HHH,HHH////    8.2
76F-1;C(CFF/HCC,,/HH,HH,C,C)HH,HH,C,&/HH&/////   10.46
77F-1;C(YY/,/)   12.0
78F-1;C(HCC/HHH,HHH/)   11.08
79F-1;C(CCF/HHH,HHH,/)   11.42
80F-1;C(CFF/HHH,,/)   13.3
81Br-1;C(HCC/HH,HH&,&/)//////    9.93
82Br-1;C(HHY//)   10.11
83Br-1;C(HYY/,/)    7.5
84F-1;C(HHY//)   12.0
85F-1;C(HHC/HHC/HHH)   11.96
86F-1;C(*C*C/H,H,*C,*C/H,H,*C,*&)H*&//////    9.2
87Br-1;C(CCC/HHH,HHH,HHH/)    9.92
88Cl-1;C(CCC/HHH,HHH,HHH/)   10.3
89Cl-1;C(HHC/HCC/HHH,HHH)   10.73
90I-1;C(HHC/HCC/HHH,HHH)    9.18
91I-1;C(HCC/HHC,HHH/HHH)    9.1
92F-1;C(HHC/HHH/)    7.93
93F-1;C(CC/HHH,HHH/)    7.14
94F-1;C(*C*C/*C,*C,*C,*C/*C,*C,*C,*&,H,H,*C,*C)H,H,H*&,*C,*C,H,H,*&,*&/,H,H,*&,*&/////    7.46
95Cl-1;C(HHC/HHC/HHH)   10.8
96I-1;C(HHC/HHC/HCC)HHH,HHH/    9.17
97Cl-1;C(HCC/HH,HH,C,C/HH,HH,C,&)HH&//////   10.1
98I-1;C(HHC/HHC/HHC)HHH/    9.23
99Cl-1;C(HHC/HHC/HHC)HHC/HHH/   10.47
100Cl-1;C(HHC/HHC/HHC)HHC/HHC/HHH/   10.28
101Br-1;C(HCY/HHH,/)   10.19
102Br-1;C(=CC/HH,HHH/)    9.58
103Br-1;C(YYY/,,/)   10.31
104I-1;C(CCC/HHH,HHH,HHH/)    8.98
105I-1;C(HCC/HCC,HHC/HH,HH&,C,H&&),HH&//////    9.0
106Br-1;C(*C*C/H,H*C,*C/*C*C,H*&)*&*C,H*C/,H*C,H*&/,H*&////    8.18
107Br-1;C(H=C/HC/HHH)    9.3
108Br-1;C(*C*C/H,H*C,*C/*CC,H*&)H*&,HHH//////    8.6
109I-1;C(*C*C/H,H,*C,*C/H,H,*C,*&)H*&//////    8.72
110Br-1;C(CCC/H,H,H,C,&,C,&,C,&/H,H,H,&,&,&,C,&,&),H&&//////    9.3
111F-1;C(HHH//)   12.5
112Br-1;C(H=C/HH/)    9.82
113I-1;C(H=C/HH/)    9.32
114F-1;C(HHX//)   11.71
115Br-1;C(=CY/HH,/)    9.78
116Cl-1;C(HCY/HHH,/)   10.42
117F-1;C(HXY/,/)   10.98
118Cl-1;C(XYY/,,/)   10.67
119I-1;C(CCC/HHC,HHH,HHH/HHH)    8.93
120I-1;C(*C*C/*CC,H*C/H*C,HHH,H*&)H*&//////    8.5
121I-1;C(*C*C/H,H,*C,*C/H,H,*C,*&)*&C/,HHH/////    8.6
122I-1;C(*C*C/H,H*C,*C/*CC,H*&)H*&,HHH//////    8.6
123I-1;C(HCC/HH,HH,C,C/HH,HH,C,&)HH&//////    9.003
124I-1;C(HHC/HHC/HHC)HHC/HHH/    9.2
125Br-1;C(HHC/HHC/HHC)HHC/HHC/HHC/HHH/    9.81
126Cl-1;C(HHC/HHC/HHC)HHC/HHC/HHC/HHH/   10.15
127Br-1;C(HHC/CCC/HHH,HHH,HHH)   10.04
128Cl-1;C(*C*C/H,H,*C,*C/H,H,*C,*&)*&C/,CCC/,HH,HH&,&,HHH////    8.67
129Cl-1;C(*C*C/H,H,*C,*C/H,H,*C,*&)*&C/,CCC/,HH,HH,HH&,&,C/,HHH///    8.64
130Cl-1;C(*C*C/H,H,*C,*C/H,H,*C,*&)*&C/,CCC/,HCC,HH,HH&,&/,HHH,HHH///    8.64
131Cl-1;C(*C*C/H,H,*C,*C/H,H,*C,*&)*&C/,CCC/,CCC,HH,HH&,&/,HHH,HHH,HHH///    8.64
132I-1;C(HHC/HHC/HHC)HHC/HHC/HHH/    9.179
133Cl-1;C(HXX/,/)   11.37
134Cl-1;C(HHH//)    8.75
135F-1;C(=CF/CC,/HH,HH,C,C)HH,HH,C,&/HH&/////    8.84
136F-1;C(*C*C/H,H,*C,*C/H,H,*C,*&)*&C/,CCC/,HHH,HHH,HHH////    8.59
137Cl-1;C(*C*C/*CC,H*C/H*C,CCC,H*&)H*&,HHH,HHH,HHH//////    8.84
138Cl-1;C(CXX/HHH,,/)   11.25
139Cl-1;C(*C*C/*C,*C,*C,*C/*C,*C,*C,*&,H,H,*C,*C)H,H,H*&,*C,*C,H,H,*&,*&/,H,H,*&,*&/////    7.45
140Br-1;C(HCC/H,H,C,C,C,C/HH,HH,HH,HH,C,&,C,&)H,H,&,&,C,&/,HH&/////    9.31
141I-1;C(CCC/HH,HH,HH,C,&,C/H&&,HH&)//////    8.98
142I-1;C(CCC/H,H,H,C,&,C,&,C,&/HH,HH,HH,&,&,&)//////    8.79
143I-1;C(CCC/H,H,H,C,&,C,&,C,&/H,H,H,&,&,&,C,&,&),H&&//////    8.76
144Br-1;C(HHH//)   10.541
145Cl-1;C(HHH//)   11.26
146Br-1;C(HHY//)   10.41
147Br-1;C(HHC/HHH/)   10.29
148Cl-1;C(HHY//)   10.77
149Cl-1;C(HHC/HHH/)   10.98
150Cl-1;C(H=C/HH/)    9.99
151F-1;C(H=C/HH/)   10.36
152I-1;C(HHC/HHH/)    9.349
153Cl-1;C(HHX//)   11.33
154F-1;C(HHF//)   13.27
155I-1;C(HHI//)    9.46
156Br-1;C(HYY/,/)   10.5
157Br-1;C(HCC/HHH,HHH/)   10.1
158Cl-1;C(HXY/,/)   10.88
159Cl-1;C(HCC/HHH,HHH/)   10.78
160I-1;C(HCC/HHH,HHH/)    9.19
161Cl-1;C(HCX/HHH,/)   11.04
162Cl-1;C(=CX/HH,/)    9.81
163F-1;C(HCF/HHH,/)   11.865
164F-1;C(=CF/HH,/)   10.29
165F-1;C(HXX/,/)   11.75
166F-1;C(HFX/,/)   12.28
167F-1;C(FYY/,,/)   11.03
168Cl-1;C(XXY/,,/)   11.05
169F-1;C(FFY/,,/)   11.4
170F-1;C(CFX/HHH,,/)   11.98
171F-1;C(XXX/,,/)   11.68
172F-1;C(FXX/,,/)   12.0
173F-1;C(FFX/,,/)   12.6
174Cl-1;(//)//////   12.744
175F-1;(//)//////   16.03
176Br-1;C(CCC/HH,HH,HH,C,C,C/H,H,H,C,&,C,&,C,&)HH,HH,HH,&,&,&//////    9.3
177I-1;C(CCC/HH,HH,HH,C,C,C/H,H,H,C,&,C,&,C,&)HH,HH,HH,&,&,&//////    8.79
178Br-1;C(CCC/HH,HH,HH,C,C,C/HH,HH,HH,C,&,&)H&&//////    9.4
179Cl-1;(//)//////   12.756
180Br-1;C(CCC/HH,HH,HH,C,&,C/H&&,HH&)//////    9.72
181Br-1;C(HCC/HHC,HHH/HHH)   10.01
182Br-1;C(HHC/HCC/HHH,HHH)   10.09
183Cl-1;C(HCC/HHC,HHH/HHH)   10.57
184Br-1;C(CCC/HCC,HH,HH,&,&/H,H,C,&,&,&)HH&//////    9.27
185Br-1;C(*C*C/*C*C,H*C/*C*C,H*C,H*&)H,H,*&,*C,H*&/,H*&/////    8.08
186Cl-1;C(*C*C/*C*C,H*C/*C*C,H*C,H*&)H,H,*&,*C,H*&/,H*&/////    8.13
187I-1;C(*C*C/*C*C,H*C/*C*C,H*C,H*&)H,H,*C,*&,H*&/H*&/////    8.03
188Cl-1;C(*C*C/H,H*C,*C/*C*C,H*&)*&*C,H*C/,H*C,H*&/,H*&////    8.11
189I-1;C(CCC/HH,HH,HHC,C,C/H&&,HH,HH,&,&)//////    8.96
190I-1;C(CCC/HH,HH,HH,C,C,C/HH,HH,HH,C,&,&)H&&//////    8.87
191Cl-1;C(CCC/HH,HH,HH,C,C,C/H,H,H,C,&,C,&,C,&)HH,HH,HH,&,&,&//////    9.3
192Br-1;C(*C*C/*CC,H*C/H*C,HHH,H*&)H*&//////    8.56
193Cl-1;C(*C*C/*CC,H*C/H*C,HHH,H*&)H*&//////    8.72
194F-1;C(*C*C/*CC,H*C/H*C,HHH,H*&)H*&//////    8.91
195