35Cl Chlorobenzene Tue Sep 26 11:54:20 2017 27 433 3 0 0.0000E+000 1.0000E+020 1.0000E+000 1.0000000000 'a' 4 2 , , , , 1 , 1 , 1 , -1 , , 'a' 1 1 , , , , 1 , 1 , 1 , , , 10000 5.672276840139979E+003 1.00000000E+000 /A -10011 5.672276840139979E+003 1.00000000E-037 /A 20000 1.576786653860822E+003 1.00000000E+000 /B -20011 1.576786653860822E+003 1.00000000E-037 /B 30000 1.233675002971029E+003 1.00000000E+000 /C -30011 1.233675002971029E+003 1.00000000E-037 /C 200 -6.028760346243438E-005 1.00000000E+000 /-DJ -211 -6.028760346243438E-005 1.00000000E-037 /-DJ 1100 -2.817970034823012E-004 1.00000000E+000 /-DJK -1111 -2.817970034823012E-004 1.00000000E-037 /-DJK 2000 -8.694203969240521E-004 1.00000000E+000 /-DK -2011 -8.694203969240521E-004 1.00000000E-037 /-DK 40100 -1.446595886379192E-005 1.00000000E+000 /-delJ -40111 -1.446595886379192E-005 1.00000000E-037 /-delJ 41000 -3.069323128062964E-004 1.00000000E+000 /-delK -41011 -3.069323128062964E-004 1.00000000E-037 /-delK 300 0.000000000000000E+000 1.00000000E-037 /HJ -311 0.000000000000000E+000 1.00000000E-037 /HJ 1200 0.000000000000000E+000 1.00000000E-037 /HJK -1211 0.000000000000000E+000 1.00000000E-037 /HJK 2100 0.000000000000000E+000 1.00000000E-037 /HKJ -2111 0.000000000000000E+000 1.00000000E-037 /HKJ 110010000 -1.068538382661516E+002 1.00000000E-001 /X.aa*3/2 110040000 1.298699629185543E+000 1.00000000E-001 /X(b-c)/4 10010000 0.000000000000000E+000 1.00000000E-037 /Maa 10020000 5.254348931381629E-004 1.00000000E+001 /Mbb -10030000 5.254348931381629E-004 1.00000000E-037 /Mcc ! !--------------------------------------------------------------------------------- ! Legacy ! 35Cl Chlorobenzene Sun Jun 03 13:24:12 2007 27 433 3 0 0.0000E+000 1.0000E+020 1.0000E+000 1.0000000000 'a' 4 2 , , , , 1 , 1 , 1 , -1 , , 'a' 1 1 , , , , 1 , 1 , 1 , , , 10000 5.672276840139979E+003 1.00000000E+000 /A -10011 5.672276840139979E+003 1.00000000E-037 /A 20000 1.576786653860822E+003 1.00000000E+000 /B -20011 1.576786653860822E+003 1.00000000E-037 /B 30000 1.233675002971029E+003 1.00000000E+000 /C -30011 1.233675002971029E+003 1.00000000E-037 /C 200 -6.028760346243437E-005 1.00000000E+000 /-DJ -211 -6.028760346243437E-005 1.00000000E-037 /-DJ 1100 -2.817970034823012E-004 1.00000000E+000 /-DJK -1111 -2.817970034823012E-004 1.00000000E-037 /-DJK 2000 -8.694203969240520E-004 1.00000000E+000 /-DK -2011 -8.694203969240520E-004 1.00000000E-037 /-DK 40100 -1.446595886379192E-005 1.00000000E+000 /-delJ -40111 -1.446595886379192E-005 1.00000000E-037 /-delJ 41000 -3.069323128062964E-004 1.00000000E+000 /-delK -41011 -3.069323128062964E-004 1.00000000E-037 /-delK 300 1.000000000000000E-025 1.00000000E-037 /HJ -311 1.000000000000000E-025 1.00000000E-037 /HJ 1200 1.000000000000000E-025 1.00000000E-037 /HJK -1211 1.000000000000000E-025 1.00000000E-037 /HJK 2100 1.000000000000000E-025 1.00000000E-037 /HKJ -2111 1.000000000000000E-025 1.00000000E-037 /HKJ 110010000 -1.068538382661516E+002 1.00000000E-001 /X.aa*3/2 110040000 1.298699629185543E+000 1.00000000E-001 /X(b-c)/4 10010000 1.000000000000000E-025 1.00000000E-037 /Maa 10020000 5.254348931381629E-004 1.00000000E+001 /Mbb -10030000 5.254348931381629E-004 1.00000000E-037 /Mcc ! !--------------------------------------------------------------------------------