CH3(CH2)2OH gt (0) + gg (1) + gg' (2) Thu Aug 09 23:16:19 2018 99 8668 11 0 0.0000E+000 3.0000E+001 1.0000E+000 1.0000000000 a 1 3 0, , , , , , , , 0 10000 1.433037114022349E+004 1.00000000E+001 /A 20000 5.119307193462831E+003 1.00000000E+001 /B 30000 4.324202632258626E+003 1.00000000E+001 /C 200 -5.659557216623979E-003 1.00000000E+000 /-DJ 1100 2.640178105142136E-002 1.00000000E+000 /-DJK 2000 -6.956382710419648E-002 1.00000000E+000 /-DK 40100 -1.687584419373053E-003 1.00000000E+000 /-dJ 41000 -1.212325284141081E-002 1.00000000E+000 /-dK 300 -2.877532229286420E-011 1.00000000E+000 /HJ 1200 6.771516126719200E-008 1.00000000E+000 /HJK 2100 -1.292308277703085E-006 1.00000000E+000 /HKJ 3000 2.462747687513797E-006 1.00000000E+000 /HK 40200 9.599201640878230E-010 1.00000000E+000 /hJ 41100 -9.725242020058872E-008 1.00000000E+000 /hJK 42000 -5.529419493960786E-007 1.00000000E+000 /hK 10011 1.420716803342935E+004 1.00000000E+001 /A 20011 5.036609960880123E+003 1.00000000E+001 /B 30011 4.290229654948979E+003 1.00000000E+001 /C 211 -5.306115785174405E-003 1.00000000E+000 /-DJ 1111 2.322300322591698E-002 1.00000000E+000 /-DJK 2011 -6.145578806631763E-002 1.00000000E+000 /-DK 40111 -1.504360915339699E-003 1.00000000E+000 /-dJ 41011 -1.171000252285469E-002 1.00000000E+000 /-dK 311 5.633044673490733E-009 1.00000000E+000 /HJ 1211 7.493441290789515E-008 1.00000000E+000 /HJK 2111 -1.188214424888437E-006 1.00000000E+000 /HKJ 3011 1.970342120478686E-006 1.00000000E+000 /HK 40211 3.003921334291308E-009 1.00000000E+000 /hJ 41111 -4.878391333022852E-008 1.00000000E+000 /hJK 42011 0.000000000000000E+000 1.00000000E-037 /hK 10022 1.425761370145613E+004 1.00000000E+001 /A 20022 5.050930236710882E+003 1.00000000E+001 /B 30022 4.253742842423103E+003 1.00000000E+001 /C 222 -5.279618126494026E-003 1.00000000E+000 /-DJ 1122 2.159545888126068E-002 1.00000000E+000 /-DJK 2022 -6.785900934130053E-002 1.00000000E+000 /-DK 40122 -1.552741195313377E-003 1.00000000E+000 /-dJ 41022 -1.144380244684792E-002 1.00000000E+000 /-dK 322 2.756971433043022E-009 1.00000000E+000 /HJ 1222 1.151160840953433E-007 1.00000000E+000 /HJK 2122 -1.165436042724978E-007 1.00000000E+000 /HKJ 3022 1.453534994378754E-006 1.00000000E+000 /HK 40222 5.904015900258673E-010 1.00000000E+000 /hJ 41122 -1.264562573666970E-007 1.00000000E+000 /hJK 42022 0.000000000000000E+000 1.00000000E-037 /hK 0 -1.434084435401387E+006 1.00000000E+005 /E_gt 11 0.000000000000000E+000 1.00000000E-037 /E_gg 22 9.029023801314940E+004 1.00000000E+004 /E_ggp 200001 0.000000000000000E+000 1.00000000E-037 /Ga 210001 0.000000000000000E+000 1.00000000E-037 /Fbc 211001 0.000000000000000E+000 1.00000000E-037 /FbcK 400001 0.000000000000000E+000 1.00000000E-037 /Gb 410001 1.035773826795830E+001 1.00000000E+005 /Fca 600001 0.000000000000000E+000 1.00000000E-037 /Gc 610001 1.481303713991516E+001 1.00000000E+005 /Fab 610101 0.000000000000000E+000 1.00000000E-037 /FabJ 611001 -3.114909159864566E-003 1.00000000E+000 /FabK 200002 0.000000000000000E+000 1.00000000E-037 /Ga 210002 4.812642051484350E+000 1.00000000E+005 /Fbc 211002 0.000000000000000E+000 1.00000000E-037 /FbcK 400002 0.000000000000000E+000 1.00000000E-037 /Gb 410002 0.000000000000000E+000 1.00000000E-037 /Fca 600002 0.000000000000000E+000 1.00000000E-037 /Gc 610002 -3.106182679139566E+001 1.00000000E+005 /Fab 610102 7.284938145090854E-004 1.00000000E+000 /FabJ 611002 5.837551153589173E-003 1.00000000E+000 /FabK 40001 3.632753606023347E-001 1.00000000E+005 /W+- 40002 9.199442346068365E-001 1.00000000E+005 /W+- 200012 5.849011533691312E+002 1.00000000E+003 /Ga 200112 -6.467881024682878E-002 1.00000000E+001 /GaJ 201012 -1.590088202726785E-001 1.00000000E+001 /GaK 200212 2.317645931052358E-006 1.00000000E+000 /GaJJ 201112 0.000000000000000E+000 1.00000000E-037 /GaJK 202012 1.608528919111324E-004 1.00000000E+000 /GaKK 210012 0.000000000000000E+000 1.00000000E-037 /Fbc 220012 9.101114757895998E-002 1.00000000E+005 /Ha 400012 5.371900710127243E+002 1.00000000E+003 /Gb 400112 -2.956918778542742E-002 1.00000000E+001 /GbJ 401012 -6.023864427003538E-002 1.00000000E+001 /GbK 400212 7.444860667773702E-007 1.00000000E+000 /GbJJ 401112 -1.262601799623920E-005 1.00000000E+000 /GbJK 402012 0.000000000000000E+000 1.00000000E-037 /GbKK 410012 0.000000000000000E+000 1.00000000E-037 /Fca 420012 0.000000000000000E+000 1.00000000E-037 /Hb 600012 9.473844515769709E+001 1.00000000E+003 /Gc 600112 -1.347282984274117E-002 1.00000000E+001 /GcJ 601012 6.192087229659987E-001 1.00000000E+001 /GcK 600212 0.000000000000000E+000 1.00000000E-037 /GcJJ 601112 3.835422106606092E-005 1.00000000E+000 /GcJK 602012 0.000000000000000E+000 1.00000000E-037 /GcKK 610012 0.000000000000000E+000 1.00000000E-037 /Fab 620012 3.308870235755423E-002 1.00000000E+005 /Hc 12 -5.625725474201968E+003 5.00000000E+003 /WF 112 -8.864671553293025E-001 5.00000000E+001 /WFJ 1012 0.000000000000000E+000 1.00000000E-037 /WFK 40012 -5.102882484062109E-001 1.00000000E+001 /W+- 41012 3.819235830344764E-004 1.00000000E+001 /W+-K 41112 -2.394764696450616E-007 1.00000000E+001 /W+-JK 42012 -2.835955161494503E-006 1.00000000E+001 /W+-KK ! !--------------------------------------------------------------------------------