Acrylonitrile Mon Aug 27 17:17:26 2018 32 840 5 0 0.0000E+000 1.0000E+003 1.0000E+000 1.0000000000 a 3 2 0, 50, , , , ,-1, ,,,,, a 1 1 0, 50, , , , , , ,,,,, 10099 4.985069644572594E+004 1.00000000E+000 /A 20099 4.971212964716492E+003 1.00000000E+000 /B 30099 4.513828178567255E+003 1.00000000E+000 /C 2099 -2.715218821888822E+000 1.00000000E+000 /-DK 1199 8.538562598158088E-002 1.00000000E+000 /-DJK 299 -2.244174828227568E-003 1.00000000E+000 /-DJ 40199 -4.566775435899154E-004 1.00000000E+000 /-delJ 41099 -2.463357319856589E-002 1.00000000E+000 /-delK 3099 3.858434459943853E-004 1.00000000E+000 /HK 2199 -7.896800172428426E-006 1.00000000E+000 /HKJ 1299 3.158819985876107E-009 1.00000000E+000 /HJK 399 6.436542487417966E-009 1.00000000E+000 /HJ 40299 2.376734877358732E-009 1.00000000E+000 /phi_J 41199 1.447009576342498E-007 1.00000000E+000 /phi_JK 42099 3.879925398145503E-005 1.00000000E+000 /phi_K 4099 -6.872487754189313E-008 1.00000000E+000 /LK 3199 7.409295546915218E-010 1.00000000E+000 /LKKJ 2299 4.438458521144394E-011 1.00000000E+000 /LJK 1399 -7.341651239327002E-012 1.00000000E+000 /LJJK 499 -1.865424319010864E-014 1.00000000E+000 /LJ 40399 -1.569982830975476E-014 1.00000000E+000 /lJ 41299 2.272716100845916E-012 1.00000000E+000 /lJK 42199 -1.032319806222948E-009 1.00000000E+000 /lKJ 43099 1.034085717165371E-008 1.00000000E+000 /lK 4199 -1.151605363471533E-014 1.00000000E+000 /PKKKJ 3299 4.984928603089011E-017 1.00000000E+000 /PKKJ 5199 -1.743877917432569E-016 1.00000000E+000 /SKKKKJ 110010000 -5.683608097769332E+000 1.00000000E+000 / 1.5X.a 110040000 -1.042370486725793E-001 1.00000000E+000 /X(b-c)/4 10010000 2.188660952472382E-003 1.00000000E+000 /Caa 10020000 7.746370731341286E-004 1.00000000E+000 /Cbb 10030000 1.415827785310669E-003 1.00000000E+000 /Ccc ! !------------------------------------------------------------------------------- ! Watson-A, legacy !------------------------------------------------------------------------------- ! ! RMS ERROR= 0.76890 0.76890 ! Acryloniitrile Mon Nov 23 16:39:09 2009 59 840 5 0 0.0000E+000 1.0000E+003 1.0000E+000 1.0000000000 a 3 2 0, 50, , , , ,-1, ,,,,, a 1 1 0, 50, , , , , , ,,,,, 10000 4.985069644572594E+004 1.00000000E+037 /A0 -10011 4.985069644572594E+004 1.00000000E-037 /A0 20000 4.971212964716492E+003 1.00000000E+037 /B0 -20011 4.971212964716492E+003 1.00000000E-037 /B0 30000 4.513828178567255E+003 1.00000000E+037 /C0 -30011 4.513828178567255E+003 1.00000000E-037 /C0 2000 -2.715218821888822E+000 1.00000000E+037 /-DK0 -2011 -2.715218821888822E+000 1.00000000E-037 /DK0 1100 8.538562598158082E-002 1.00000000E+037 /-DJK0 -1111 8.538562598158082E-002 1.00000000E-037 /DJK0 200 -2.244174828227568E-003 1.00000000E+037 /-DJ0 -211 -2.244174828227568E-003 1.00000000E-037 /DJ0 40100 -4.566775435899148E-004 1.00000000E+037 /-delJ -40111 -4.566775435899148E-004 1.00000000E-037 /-delJ 41000 -2.463357319856589E-002 1.00000000E+037 /-delK -41011 -2.463357319856589E-002 1.00000000E-037 /-delK 3000 3.858434459943853E-004 1.00000000E+037 /HK0 -3011 3.858434459943853E-004 1.00000000E-037 /HK0 2100 -7.896800172428426E-006 1.00000000E+037 /HKJ0 -2111 -7.896800172428426E-006 1.00000000E-037 /HKJ0 1200 3.158819985876107E-009 1.00000000E+037 /HJK0 -1211 3.158819985876107E-009 1.00000000E-037 /HJK0 300 6.436542487417966E-009 1.00000000E+037 /HJ0 -311 6.436542487417966E-009 1.00000000E-037 /HJ0 40200 2.376734877358732E-009 1.00000000E+037 /phi_J -40211 2.376734877358732E-009 1.00000000E-037 /phi_J 41100 1.447009576342498E-007 1.00000000E+037 /phi_JK -41111 1.447009576342498E-007 1.00000000E-037 /phi_JK 42000 3.879925398145503E-005 1.00000000E+037 /phi_K -42011 3.879925398145503E-005 1.00000000E-037 /phi_K 4000 -6.872487754189313E-008 1.00000000E+037 /LK0 -4011 -6.872487754189313E-008 1.00000000E-037 /LK0 3100 7.409295546915218E-010 1.00000000E+037 /LKKJ0 -3111 7.409295546915218E-010 1.00000000E-037 /LKKJ0 2200 4.438458521144394E-011 1.00000000E+037 /LJK0 -2211 4.438458521144394E-011 1.00000000E-037 /LJK0 1300 -7.341651239327002E-012 1.00000000E+037 /LJJK0 -1311 -7.341651239327002E-012 1.00000000E-037 /LJJK0 400 -1.865424319010864E-014 1.00000000E+037 /LJ0 -411 -1.865424319010864E-014 1.00000000E-037 /LJ0 40300 -1.569982830975476E-014 1.00000000E+037 /l1_0 -40311 -1.569982830975476E-014 1.00000000E-037 /l1_0 41200 2.272716100845916E-012 1.00000000E+037 /lJK -41211 2.272716100845916E-012 1.00000000E-037 /lJK 42100 -1.032319806222948E-009 1.00000000E+037 /lKJ -42111 -1.032319806222948E-009 1.00000000E-037 /lKJ 43000 1.034085717165371E-008 1.00000000E+037 /lK -43011 1.034085717165371E-008 1.00000000E-037 /lK 4100 -1.151605363471533E-014 1.00000000E+037 /PKKKJ -4111 -1.151605363471533E-014 1.00000000E-037 /PKKKJ 3200 4.984928603089005E-017 1.00000000E+037 /PKKJ -3211 4.984928603089005E-017 1.00000000E-037 /PKKJ 5100 -1.743877917432569E-016 1.00000000E+037 /SKKKKJ -5111 -1.743877917432569E-016 1.00000000E-037 /SKKKKJ 110010000 -5.683608097769332E+000 1.00000000E+037 / 1.5X.a 110040000 -1.042370486725793E-001 1.00000000E+037 /X(b-c)/4 10010000 2.188660952472382E-003 1.00000000E+037 /Caa 10020000 7.746370731341280E-004 1.00000000E+037 /Cbb 10030000 1.415827785310669E-003 1.00000000E+037 /Ccc ! ! !------------------------------------------------------------------------------- ! Watson-S, legacy !------------------------------------------------------------------------------- ! Acrylonitrile Mon Nov 23 15:29:08 2009 59 840 5 0 0.0000E+000 1.0000E+003 1.0000E+000 1.0000000000 s 3 2 0, 50, , , , ,-1, ,,,,, s 1 1 0, 50, , , , , , ,,,,, 10000 4.985069674402920E+004 1.00000000E+037 /A0 -10011 4.985069674402920E+004 1.00000000E-037 /A0 20000 4.971163651218089E+003 1.00000000E+037 /B0 -20011 4.971163651218089E+003 1.00000000E-037 /B0 30000 4.513877260055720E+003 1.00000000E+037 /C0 -30011 4.513877260055720E+003 1.00000000E-037 /C0 2000 -2.714879748938942E+000 1.00000000E+037 /-DK0 -2011 -2.714879748938942E+000 1.00000000E-037 /-DK0 1100 8.501577850625053E-002 1.00000000E+037 /-DJK0 -1111 8.501577850625053E-002 1.00000000E-037 /-DJK0 200 -2.182401412494450E-003 1.00000000E+037 /-DJ0 -211 -2.182401412494450E-003 1.00000000E-037 /-DJ0 40100 -4.565241050477492E-004 1.00000000E+037 /d1_0 -40111 -4.565241050477492E-004 1.00000000E-037 /d1_0 50000 -3.088011288702651E-005 1.00000000E+037 /d2_0 -50011 -3.088011288702651E-005 1.00000000E-037 /d2_0 3000 3.841379914999477E-004 1.00000000E+037 /HK0 -3011 3.841379914999477E-004 1.00000000E-037 /HK0 2100 -6.940116382893470E-006 1.00000000E+037 /HKJ0 -2111 -6.940116382893470E-006 1.00000000E-037 /HKJ0 1200 -2.848673251310238E-007 1.00000000E+037 /HJK0 -1211 -2.848673251310238E-007 1.00000000E-037 /HJK0 300 5.725210447033275E-009 1.00000000E+037 /HJ0 -311 5.725210447033275E-009 1.00000000E-037 /HJ0 40200 2.276308826592798E-009 1.00000000E+037 /h1_0 -40211 2.276308826592798E-009 1.00000000E-037 /h1_0 50100 3.677640952807529E-010 1.00000000E+037 /h2_0 -50111 3.677640952807529E-010 1.00000000E-037 /h2_0 60000 8.915438316081138E-011 1.00000000E+037 /h3_0 -60011 8.915438316081138E-011 1.00000000E-037 /h3_0 4000 -5.743034007252809E-008 1.00000000E+037 /LK0. -4011 -5.743034007252809E-008 1.00000000E-037 /LK0 3100 1.213374759696639E-009 1.00000000E+037 /LKKJ0 -3111 1.213374759696639E-009 1.00000000E-037 /LKKJ0 2200 -8.155866457912616E-011 1.00000000E+037 /LJK0 -2211 -8.155866457912616E-011 1.00000000E-037 /LJK0 1300 1.784854182679223E-012 1.00000000E+037 /LJJK0 -1311 1.784854182679223E-012 1.00000000E-037 /LJJK0 400 -2.165165754589879E-014 1.00000000E+037 /LJ0 -411 -2.165165754589879E-014 1.00000000E-037 /LJ0 40300 -8.894825273819137E-015 1.00000000E+037 /l1_0 -40311 -8.894825273819137E-015 1.00000000E-037 /l1_0 50200 -3.776451603626830E-015 1.00000000E+037 /l2_0 -50211 -3.776451603626830E-015 1.00000000E-037 /l2_0 60100 -1.420068280756996E-015 1.00000000E+037 /l3_0 -60111 -1.420068280756996E-015 1.00000000E-037 /l3_0 70000 -2.229926852679065E-016 1.00000000E+037 /l4_0 -70011 -2.229926852679065E-016 1.00000000E-037 /l4_0 4100 -2.266176589175159E-013 1.00000000E+037 /PKKKJ -4111 -2.266176589175159E-013 1.00000000E-037 /PKKKJ 3200 -1.088886618292053E-013 1.00000000E+037 /PKKJ -3211 -1.088886618292053E-013 1.00000000E-037 /PKKJ 5100 1.569052071176385E-016 1.00000000E+037 /SKKKKJ -5111 1.569052071176385E-016 1.00000000E-037 /SKKKKJ 110010000 -5.683598433415298E+000 1.00000000E+037 / 1.5X.a 110040000 -1.042376467171829E-001 1.00000000E+037 /X(b-c)/4 10010000 2.198115165498413E-003 1.00000000E+037 /Caa 10020000 7.784692965330948E-004 1.00000000E+037 /Cbb 10030000 1.427966317439905E-003 1.00000000E+037 /Ccc ! !------------------------------------------------------------------------------- !-------------------------------------------------------------------------------