Fluorobenzene, v_18b=1 (lower) <-> v_16a=1 (upper) Mon Sep 25 22:33:36 2017 25 705 10 0 0.0000E+000 1.0000E+003 1.0000E+000 1.0000000000 a 1 2 0 ,, ,,,,,,,,,,,,,,,, 10000 5.681673534864441E+003 1.00000000E+002 /A 20000 2.570590245218390E+003 1.00000000E+002 /B 30000 1.766597575857012E+003 1.00000000E+002 /C 200 -1.331527092735871E-004 1.00000000E+000 /-DJ 1100 -2.111665683151889E-004 1.00000000E+000 /-DJK 2000 -9.526436932800604E-004 1.00000000E+000 /-DK 40100 -4.354217359527699E-005 1.00000000E+000 /-delJ 41000 -3.865889398392474E-004 1.00000000E+000 /-delK 10011 5.658410744999765E+003 1.00000000E+002 /A 20011 2.570758635893807E+003 1.00000000E+002 /B 30011 1.769052462371981E+003 1.00000000E+002 /C 211 -1.336469376458810E-004 1.00000000E+000 /-DJ 1111 -2.133889285948165E-004 1.00000000E+000 /-DJK 2011 -8.361377068005788E-004 1.00000000E+000 /-DK 40111 -4.369371758171711E-005 1.00000000E+000 /-delJ 41011 -3.722048119670905E-004 1.00000000E+000 /-delK 11 2.234979155467302E+005 1.00000000E+005 /E 400001 2.750818338682891E+002 1.00000000E+002 /iGb 400101 0.000000000000000E+000 1.00000000E-037 /iGbJ 401001 0.000000000000000E+000 1.00000000E-037 /iGbK 410001 6.094666524204939E-001 1.00000000E+000 /Fca 410101 -2.074187144355653E-006 1.00000000E+000 /FcaJ 411001 0.000000000000000E+000 1.00000000E-037 /FcaK 200001 0.000000000000000E+000 1.00000000E-037 /iGa 600001 0.000000000000000E+000 1.00000000E-037 /iGc ! !------------------------------------------------------------------------------- ! ! Legacy ! Fluorobenzene, v_18b=1 (lower) <-> v_16a=1 (upper) Fri Sep 24 19:37:24 2004 23 705 10 0 0.0000E+000 1.0000E+003 1.0000E+000 1.0000000000 a 1 2 0 ,, ,,,,,,,,,,,,,,,, 10000 5.681673534864441E+003 1.00000000E+002 /A 20000 2.570590245218390E+003 1.00000000E+002 /B 30000 1.766597575857012E+003 1.00000000E+002 /C 200 -1.331527092735871E-004 1.00000000E+000 /-DJ 1100 -2.111665683151889E-004 1.00000000E+000 /-DJK 2000 -9.526436932800603E-004 1.00000000E+000 /-DK 40100 -4.354217359527699E-005 1.00000000E+000 /-delJ 41000 -3.865889398392474E-004 1.00000000E+000 /-delK 10011 5.658410744999764E+003 1.00000000E+002 /A 20011 2.570758635893807E+003 1.00000000E+002 /B 30011 1.769052462371981E+003 1.00000000E+002 /C 211 -1.336469376458810E-004 1.00000000E+000 /-DJ 1111 -2.133889285948165E-004 1.00000000E+000 /-DJK 2011 -8.361377068005786E-004 1.00000000E+000 /-DK 40111 -4.369371758171711E-005 1.00000000E+000 /-delJ 41011 -3.722048119670905E-004 1.00000000E+000 /-delK 11 2.234979155467302E+005 1.00000000E+005 /E 400001 2.750818338682891E+002 1.00000000E+002 /iGb 400101 1.000000000000000E-020 1.00000000E-030 /iGbJ 401001 1.000000000000000E-020 1.00000000E-030 /iGbK 410001 6.094666524204939E-001 1.00000000E+000 /Fca 410101 -2.074187144355653E-006 1.00000000E+000 /FcaJ 411001 1.000000000000000E-020 1.00000000E-030 /FcaK 200001 1.000000000000000E-020 1.00000000E-030 /iGa 600001 1.000000000000000E-020 1.00000000E-030 /iGc !-------------------------------------------------------------------------------