teriary butyl isocynide Wed Oct 18 20:56:29 2017 6 3 3 0 0.0000E+000 1.0000E+020 1.0000E+000 1.0000000000 s -3 1 0 ,,,,,,,,,,, 10000 4.500000000000000E+003 1.00000000E-037 /A 20000 2.932174952000000E+003 1.00000000E-037 /B -30000 2.932174952000000E+003 1.00000000E-037 /C 200 -3.537700000000002E-004 1.00000000E-037 /-DJ 1100 -4.137690000068003E-003 1.00000000E-037 /-DJK 110010000 2.351986655615763E-001 1.00000000E+000 /chi.aa*3/2 ! !------------------------------------------------------------------------------ ! ! Legacy ! teriary butyl isocynide 6 100 3 0 .1000E-13 .1000E+21 .1000E+01 1.0000000000 s -3 1 0 ,,,,,,,,,,, 10000. .450000000000000E+04 .99999997E-19 20000. .293217495200000E+04 .99999997E-19 -30000. .293217495200000E+04 .99999997E-19 200. -.353770000000000E-03 .99999997E-19 1100. -.413769000006800E-02 .99999997E-19 110010000. .234460939570761E+00 .99999997E+00 ! !------------------------------------------------------------------------------