37Cl Chlorobenzene Tue Sep 26 11:51:08 2017 27 279 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 5.672278408054523E+003 1.00000000E+001 /A -10011 5.672278408054523E+003 1.00000000E-037 /A 20000 1.532788668389894E+003 1.00000000E+001 /B -20011 1.532788668389894E+003 1.00000000E-037 /B 30000 1.206574962614680E+003 1.00000000E+001 /C -30011 1.206574962614680E+003 1.00000000E-037 /C 200 -5.769800999525512E-005 1.00000000E+000 /-DJ -211 -5.769800999525512E-005 1.00000000E-037 /-DJ 1100 -2.736155120631808E-004 1.00000000E+000 /-DJK -1111 -2.736155120631808E-004 1.00000000E-037 /-DJK 2000 -8.784913319026707E-004 1.00000000E+000 /-DK -2011 -8.784913319026707E-004 1.00000000E-037 /-DK 40100 -1.356784946753662E-005 1.00000000E+000 /-delJ -40111 -1.356784946753662E-005 1.00000000E-037 /-delJ 41000 -2.978839398605067E-004 1.00000000E+000 /-delK -41011 -2.978839398605067E-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 -8.421674221979052E+001 1.00000000E+000 /X.aa*3/2 110040000 1.023894978718972E+000 1.00000000E+000 /X(b-c)/4 10010000 0.000000000000000E+000 1.00000000E-037 /Maa 10020000 4.685110783049953E-004 1.00000000E+000 /Mbb -10030000 4.685110783049953E-004 1.00000000E-037 /Mcc ! !--------------------------------------------------------------------------------- ! Legacy ! 37Cl Chlorobenzene Mon Sep 17 09:19:17 2007 27 279 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 5.672278408054523E+003 1.00000000E+001 /A -10011 5.672278408054523E+003 1.00000000E-037 /A 20000 1.532788668389894E+003 1.00000000E+001 /B -20011 1.532788668389894E+003 1.00000000E-037 /B 30000 1.206574962614680E+003 1.00000000E+001 /C -30011 1.206574962614680E+003 1.00000000E-037 /C 200 -5.769800999525512E-005 1.00000000E+000 /-DJ -211 -5.769800999525512E-005 1.00000000E-037 /-DJ 1100 -2.736155120631808E-004 1.00000000E+000 /-DJK -1111 -2.736155120631808E-004 1.00000000E-037 /-DJK 2000 -8.784913319026706E-004 1.00000000E+000 /-DK -2011 -8.784913319026706E-004 1.00000000E-037 /-DK 40100 -1.356784946753662E-005 1.00000000E+000 /-delJ -40111 -1.356784946753662E-005 1.00000000E-037 /-delJ 41000 -2.978839398605067E-004 1.00000000E+000 /-delK -41011 -2.978839398605067E-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 -8.421674221979052E+001 1.00000000E+000 /X.aa*3/2 110040000 1.023894978718972E+000 1.00000000E+000 /X(b-c)/4 10010000 1.000000000000000E-025 1.00000000E-037 /Maa 10020000 4.685110783049952E-004 1.00000000E+000 /Mbb -10030000 4.685110783049952E-004 1.00000000E-037 /Mcc !---------------------------------------------------------------------------------