n-propanol, Gt conformer, v=1 Thu Aug 09 23:28:53 2018 15 864 5 0 0.0000E+000 5.0000E+000 1.0000E+000 1.0000000000 a 1 1 0, , , , , , , ,,,,, 10000 1.437860542686716E+004 1.00000000E+000 /A 20000 5.104597553860990E+003 1.00000000E+000 /B 30000 4.318314934291732E+003 1.00000000E+000 /C 200 -5.744767436720311E-003 1.00000000E+000 /-DJ 1100 2.644465354240754E-002 1.00000000E+000 /-DJK 2000 -7.513613839144460E-002 1.00000000E+000 /-DK 40100 -1.718404817427032E-003 1.00000000E+000 /-dJ 41000 -1.301366724138346E-002 1.00000000E+000 /-dK 300 -2.275998878456037E-009 1.00000000E+000 /HJ 1200 3.935402178710562E-008 1.00000000E+000 /HJK 2100 -1.220455557034082E-006 1.00000000E+000 /HKJ 3000 2.843593031186728E-006 1.00000000E+000 /HK 40200 -3.080691816991284E-010 1.00000000E+000 /hJ 41100 -1.309813096459089E-007 1.00000000E+000 /hJK 42000 -4.698037292627959E-007 1.00000000E+000 /hK ! !------------------------------------------------------------------------------