1,3-benzodioxole, ground and first excited state Tue Oct 03 17:19:43 2017 20 634 5 0 0.0000E+000 3.0000E+000 1.0000E+000 1.0000000000 a 1 2 0 ,, ,,,,,,,,,,,,,,,, 10000 3.795145716679283E+003 1.00000000E+001 /A 20000 1.621038495133507E+003 1.00000000E+001 /B 30000 1.147966764102901E+003 1.00000000E+001 /C 200 -4.122036470194170E-005 1.00000000E-001 /-DJ 1100 -1.566293414894212E-005 1.00000000E-001 /-DJK 2000 -3.345530914665013E-004 1.00000000E-001 /-DK 40100 -1.079123487781621E-005 1.00000000E-001 /-delJ 41000 -8.341208278330153E-005 1.00000000E-001 /-delK 10011 3.792764415690760E+003 1.00000000E+018 /A 20011 1.622402402395388E+003 1.00000000E+018 /B 30011 1.149203237911239E+003 1.00000000E+018 /C 211 -3.909461289356921E-005 1.00000000E-001 /-DJ 1111 -4.730142569722525E-005 1.00000000E-001 /-DJK 2011 -2.978380477556845E-004 1.00000000E-001 /-DK 40111 -1.072391711346137E-005 1.00000000E-001 /-delJ 41011 -7.398820452857620E-005 1.00000000E-001 /-delK 11 2.597260352080325E+005 1.00000000E+003 /E 410001 9.431219558320116E+000 1.00000000E+001 /Fca 410101 -1.005144095800010E-005 1.00000000E+001 /Fca.J 411001 1.672033841057770E-005 1.00000000E+001 /Fca.K ! !------------------------------------------------------------------------------- ! Legacy ! 1,3-benzodioxole, ground and first excited state Mon Nov 17 23:37:57 2003 20 634 5 0 1.0000E-012 3.0000E+000 1.0000E+000 1.0000000000 a 1 2 0 ,, ,,,,,,,,,,,,,,,, 10000 3.795145716679282E+003 9.99999970E+001 /A 20000 1.621038495133507E+003 9.99999970E+001 /B 30000 1.147966764102901E+003 9.99999970E+001 /C 200 -4.122036470194170E-005 9.99999970E-001 /-DJ 1100 -1.566293414894212E-005 9.99999970E-001 /-DJK 2000 -3.345530914665012E-004 9.99999970E-001 /-DK 40100 -1.079123487781621E-005 9.99999970E-001 /-delJ 41000 -8.341208278330152E-005 9.99999970E-001 /-delK 10011 3.792764415690760E+003 9.99999970E+018 /A 20011 1.622402402395388E+003 9.99999970E+018 /B 30011 1.149203237911239E+003 9.99999970E+018 /C 211 -3.909461289356921E-005 9.99999970E-001 /-DJ 1111 -4.730142569722524E-005 9.99999970E-001 /-DJK 2011 -2.978380477556845E-004 9.99999970E-001 /-DK 40111 -1.072391711346137E-005 9.99999970E-001 /-delJ 41011 -7.398820452857620E-005 9.99999970E-001 /-delK 11 2.597260352080325E+005 9.99999970E+003 /E 410001 9.431219558320116E+000 9.99999970E+001 /Fca 410101 -1.005144095800010E-005 9.99999970E+001 /Fca.J 411001 1.672033841057770E-005 9.99999970E+001 /Fca.K ! !-------------------------------------------------------------------------------