Iodobenzene Tue Sep 26 12:03:18 2017 25 306 3 0 0.0000E+000 1.0000E+020 1.0000E+000 1.0000000000 'a' 6 2 , , , , 1 , 1 , 1 , -1 , , 'a' 1 1 , , , , 1 , 1 , 1 , , , 10000 5.669126370881780E+003 1.00000000E+000 /A -10011 5.669126370881780E+003 1.00000000E-037 /A 20000 7.504143226087566E+002 1.00000000E+000 /B -20011 7.504143226087566E+002 1.00000000E-037 /B 30000 6.626361621999704E+002 1.00000000E+000 /C -30011 6.626361621999704E+002 1.00000000E-037 /C 200 -1.954793317371912E-005 1.00000000E+000 /-DJ -211 -1.954793317371912E-005 1.00000000E-037 /-DJ 1100 -1.646475642896038E-004 1.00000000E+000 /-DJK -1111 -1.646475642896038E-004 1.00000000E-037 /-DJK 2000 -8.910416249242548E-004 1.00000000E+000 /-DK -2011 -8.910416249242548E-004 1.00000000E-037 /-DK 40100 -2.530982019940374E-006 1.00000000E+000 /-delJ -40111 -2.530982019940374E-006 1.00000000E-037 /-delJ 41000 -1.555430916476338E-004 1.00000000E+000 /-delK -41011 -1.555430916476338E-004 1.00000000E-037 /-delK 1200 6.097232678772007E-011 1.00000000E+000 /HJK -1211 6.097232678772007E-011 1.00000000E-037 /HJK 2100 -3.770144633608618E-010 1.00000000E+000 /HKJ -2111 -3.770144633608618E-010 1.00000000E-037 /HKJ 110010000 -2.838059660286438E+003 1.00000000E+000 /X.aa*3/2 110040000 1.640068602853419E+001 1.00000000E+000 /X(b-c)/4 10010000 1.669711330088248E-003 1.00000000E+000 /Maa 10020000 2.606736709049281E-003 1.00000000E+000 /Mbb -10030000 2.606736709049281E-003 1.00000000E-037 /Mcc ! !--------------------------------------------------------------------------------- ! Legacy ! Iodobenzene Wed May 23 23:55:37 2007 25 306 3 0 0.0000E+000 1.0000E+020 1.0000E+000 1.0000000000 'a' 6 2 , , , , 1 , 1 , 1 , -1 , , 'a' 1 1 , , , , 1 , 1 , 1 , , , 10000 5.669126370881780E+003 1.00000000E+019 /A -10011 5.669126370881780E+003 1.00000000E-037 /A 20000 7.504143226087566E+002 1.00000000E+019 /B -20011 7.504143226087566E+002 1.00000000E-037 /B 30000 6.626361621999704E+002 1.00000000E+019 /C -30011 6.626361621999704E+002 1.00000000E-037 /C 200 -1.954793317371912E-005 1.00000000E+000 /-DJ -211 -1.954793317371912E-005 1.00000000E-037 /-DJ 1100 -1.646475642896038E-004 1.00000000E+000 /-DJK -1111 -1.646475642896038E-004 1.00000000E-037 /-DJK 2000 -8.910416249242546E-004 1.00000000E+000 /-DK -2011 -8.910416249242546E-004 1.00000000E-037 /-DK 40100 -2.530982019940374E-006 1.00000000E+000 /-delJ -40111 -2.530982019940374E-006 1.00000000E-037 /-delJ 41000 -1.555430916476338E-004 1.00000000E+000 /-delK -41011 -1.555430916476338E-004 1.00000000E-037 /-delK 1200 6.097232678772007E-011 1.00000000E+000 /HJK -1211 6.097232678772007E-011 1.00000000E-037 /HJK 2100 -3.770144633608617E-010 1.00000000E+000 /HKJ -2111 -3.770144633608617E-010 1.00000000E-037 /HKJ 110010000 -2.838059660286438E+003 1.00000000E+019 /X.aa*3/2 110040000 1.640068602853419E+001 1.00000000E+019 /X(b-c)/4 10010000 1.669711330088248E-003 1.00000000E+000 /Maa 10020000 2.606736709049281E-003 1.00000000E+019 /Mbb -10030000 2.606736709049281E-003 1.00000000E-037 /Mcc ! !-------------------------------------------------------------------------------