Ethyl cyanide, v13=1+v21=1 Sat Feb 15 11:17:41 2020 76 2016 21 0 0.0000E+000 1.2000E+001 1.0000E+000 1.0000000000 a 1 2 0, 80 , , , , , , , 1 ,,,, 10000 2.798687911559559E+004 1.00000000E+002 /A 20000 4.730964459636072E+003 1.00000000E+000 /B 30000 4.240730478097085E+003 1.00000000E+000 /C 200 -3.080203675574260E-003 1.00000000E+000 /-DJ 1100 4.670448743977322E-002 1.00000000E+000 /-DJK 2000 -5.508316112842677E-001 1.00000000E+000 /-DK 40100 -6.929002594516445E-004 1.00000000E+000 /-delJ 41000 -1.423844608800832E-002 1.00000000E+000 /-delK 300 9.794671673138649E-009 1.00000000E+000 /HJ 1200 -2.511936347836932E-008 1.00000000E+000 /HJK 2100 -2.099981396652584E-006 1.00000000E+000 /HKJ 3000 2.556198993360874E-005 1.00000000E+000 /HK 40200 3.748774270616621E-009 1.00000000E+000 /hj 41100 5.377661409706109E-008 1.00000000E+000 /hjk 42000 6.163684651258115E-006 1.00000000E+000 /hk 400 -5.110000000000000E-014 1.00000000E-037 /LJ 1300 -8.168000000000003E-013 1.00000000E-037 /LJJK 2200 -3.966874900147502E-010 1.00000000E+000 /LJK 3100 2.156502779745219E-009 1.00000000E+000 /LKKJ 4000 -1.447599914964628E-008 1.00000000E+000 /LK 40300 -2.273000000000000E-014 1.00000000E-037 /lj 41200 -6.974000000000000E-013 1.00000000E-037 /ljk 42100 -4.449126235554093E-011 1.00000000E-037 /lkj 43000 -1.715516011638760E-008 1.00000000E+000 /lk 500 2.323000000000004E-019 1.00000000E-037 /PJ 2300 9.238000000000001E-016 1.00000000E-037 /PJK 5000 1.438000000000000E-013 1.00000000E-037 /PK 40400 1.014000000000000E-019 1.00000000E-037 /pj 44000 -8.864000000000000E-014 1.00000000E-037 /pk 10011 2.746409088049320E+004 1.00000000E+002 /A 20011 4.710506114820733E+003 1.00000000E+000 /B 30011 4.233275470144829E+003 1.00000000E+000 /C 211 -3.045623531095065E-003 1.00000000E+000 /-DJ 1111 4.733786598232037E-002 1.00000000E+000 /-DJK 2011 -5.416379681718143E-001 1.00000000E+000 /-DK 40111 -6.781765703667788E-004 1.00000000E+000 /-delJ 41011 -1.146789239154216E-002 1.00000000E+000 /-delK 311 9.979286456287257E-009 1.00000000E+000 /HJ 1211 -8.541045335536546E-008 1.00000000E+000 /HJK 2111 -3.585979616681401E-006 1.00000000E+000 /HKJ 3011 2.023117490844468E-005 1.00000000E+000 /HK 40211 3.847026441921517E-009 1.00000000E+000 /hj 41111 5.800866125011883E-008 1.00000000E+000 /hjk 42011 6.519626013006756E-006 1.00000000E+000 /hk 411 -5.110000000000000E-014 1.00000000E-037 /LJ 1311 -8.168000000000003E-013 1.00000000E-037 /LJJK 2211 -4.988845663725452E-010 1.00000000E+000 /LJK 3111 2.454897112684770E-009 1.00000000E+000 /LKKJ 4011 3.310610247514856E-008 1.00000000E+000 /LK 40311 -2.273000000000000E-014 1.00000000E-037 /lj 41211 -6.974000000000000E-013 1.00000000E-037 /ljk 42111 -2.300998934808989E-010 1.00000000E+000 /lkj 43011 -2.320629101460026E-008 1.00000000E+000 /lk 511 2.323000000000004E-019 1.00000000E-037 /PJ 2311 9.238000000000001E-016 1.00000000E-037 /PJK 5011 1.438000000000000E-013 1.00000000E-037 /PK 40411 1.014000000000000E-019 1.00000000E-037 /pj 44011 -8.864000000000000E-014 1.00000000E-037 /pk 11 1.860819176373494E+005 1.00000000E+002 /DE 200001 2.092826853706850E+004 1.00000000E+002 /Ga 200101 -3.567911193497986E-002 1.00000000E+000 /GaJ 201001 -2.952112086662576E+000 1.00000000E+001 /GaK 200201 0.000000000000000E+000 1.00000000E-037 /GaJJ 201101 -1.828252273609247E-005 1.00000000E+001 /GaJK 202001 -0.000000000000000E+000 1.00000000E-037 /GaKK 210001 3.838969102612392E+000 1.00000000E+001 /Fbc 210101 -0.000000000000000E+000 1.00000000E-037 /FbcJ 211001 1.492108558099410E-003 1.00000000E+000 /FbcK 220001 0.000000000000000E+000 1.00000000E-037 /ca 400001 1.193680965571870E+003 1.00000000E+002 /Gb 400101 -2.996383223233267E-003 1.00000000E+000 /GbJ 401001 3.261780822530268E-002 1.00000000E+000 /GbK 410001 -3.671236323805551E-001 1.00000000E+000 /Fca 410101 0.000000000000000E+000 1.00000000E-037 /FcaJ 411001 1.732081988140743E-003 1.00000000E+000 /FcaK 420001 -0.000000000000000E+000 1.00000000E-037 /cb ! !------------------------------------------------------------------------------