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