Propionitrile = Ethyl Cyanide Mon Aug 27 17:19:03 2018 32 5876 10 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 a 1 4 0 80 0 1 1 1 -1 0 a 3 3 0 80 0 1 1 1 0 0 10099 2.766368277265477E+004 1.00000000E+000 /A 20099 4.714213185749102E+003 1.00000000E+000 /B 30099 4.235059501189990E+003 1.00000000E+000 /C 299 -3.073464782721224E-003 1.00000000E+000 /-DJ 1199 4.765835021402444E-002 1.00000000E+000 /-DJK 2099 -5.481247464335649E-001 1.00000000E+000 /-DK 40199 -6.859896622621612E-004 1.00000000E+000 /-delJ 41099 -1.273983950597661E-002 1.00000000E+000 /-delK 399 1.037295228543184E-008 1.00000000E+000 /HJ 1299 -2.515882004113560E-008 1.00000000E+000 /HJK 2199 -1.906773114925353E-006 1.00000000E+000 /HKJ 3099 3.161365604735502E-005 1.00000000E+000 /HK 40299 3.968085353176143E-009 1.00000000E+000 /hj 41199 1.016275280140711E-007 1.00000000E+000 /hjk 42099 6.500967550329451E-006 1.00000000E+000 /hk 499 -5.129844067503897E-014 1.00000000E+000 /LJ 1399 -8.161848227345272E-013 1.00000000E+000 /LJJK 2299 -1.202306544266202E-010 1.00000000E+000 /LJK 3199 3.986693008457877E-010 1.00000000E+000 /LKKJ 4099 -2.383957475448936E-009 1.00000000E+000 /LK 40399 -2.280618961012814E-014 1.00000000E+000 /lj 41299 -6.948698896363770E-013 1.00000000E+000 /ljk 42199 -4.446517206987279E-011 1.00000000E+000 /lkj 43099 -4.379381272415691E-009 1.00000000E+000 /lk 599 2.382893467103285E-019 1.00000000E+000 /PJ 2399 9.236140111311245E-016 1.00000000E+000 /PJK 5099 1.428254741547067E-013 1.00000000E+000 /PK 40499 1.039649344028364E-019 1.00000000E+000 /pj 44099 -8.857464939474262E-014 1.00000000E+000 /pk 110010033 -5.035793353248847E+000 1.00000000E+000 / 1.5X.a 110040033 -1.902248390523690E-001 1.00000000E+000 /X(b-c)/4 110610033 -2.130000000000000E+000 1.00000000E-037 /chi.ab ! !------------------------------------------------------------------------------- ! Legacy: ! ! As below but the supersonic aR-types error 0.002 ! bR-type error 0.003 (curious tripled lineshape) ! ! MICROWAVE AVG = 0.002114 MHz, IR AVG = 0.00000 ! MICROWAVE RMS = 0.079169 MHz, IR RMS = 0.00000 ! END OF ITERATION 1 OLD, NEW RMS ERROR= 0.99304 0.99304 ! ! distinct frequency lines in fit: 3866 ! distinct parameters of fit: 31 ! ! Propionitrile = Ethyl Cyanide Wed Jul 20 09:42:35 2011 32 5876 10 0 0.0000E+000 1.0000E+001 1.0000E+000 1.0000000000 a 1 4 0 80 0 1 1 1 -1 a 3 3 0 80 0 1 1 1 10099 2.766368277267373E+004 1.00000000E+000 /A 20099 4.714213185749881E+003 1.00000000E+000 /B 30099 4.235059501190603E+003 1.00000000E+000 /C 299 -3.073464782723082E-003 1.00000000E+000 /-DJ 1199 4.765835020598037E-002 1.00000000E+000 /-DJK 2099 -5.481247465065483E-001 1.00000000E+000 /-DK 40199 -6.859896623262489E-004 1.00000000E+000 /-delJ 41099 -1.273983948680286E-002 1.00000000E+000 /-delK 399 1.037295229914027E-008 1.00000000E+000 /HJ 1299 -2.515883087253713E-008 1.00000000E+000 /HJK 2199 -1.906773052336401E-006 1.00000000E+000 /HKJ 3099 3.161365599243902E-005 1.00000000E+000 /HK 40299 3.968085342397526E-009 1.00000000E+000 /hj 41199 1.016275294540683E-007 1.00000000E+000 /hjk 42099 6.500966753988226E-006 1.00000000E+000 /hk 499 -5.129844138193155E-014 1.00000000E+000 /LJ 1399 -8.161845122972459E-013 1.00000000E+000 /LJJK 2299 -1.202304592372240E-010 1.00000000E+000 /LJK 3199 3.986687366694222E-010 1.00000000E+000 /LKKJ 4099 -2.383956844099260E-009 1.00000000E+000 /LK 40399 -2.280618785923103E-014 1.00000000E+000 /lj 41299 -6.948697903758817E-013 1.00000000E+000 /ljk 42199 -4.446515053044890E-011 1.00000000E+000 /lkj 43099 -4.379373953606517E-009 1.00000000E+000 /lk 599 2.382893179677541E-019 1.00000000E+000 /PJ 2399 9.236128063516277E-016 1.00000000E+000 /PJK 5099 1.428252735021112E-013 1.00000000E+000 /PK 40499 1.039648548234088E-019 1.00000000E+000 /pj 44099 -8.857412865931023E-014 1.00000000E+000 /pk 110010033 -5.035793348959976E+000 1.00000000E+000 / 1.5X.a 110040033 -1.902248404034827E-001 1.00000000E+000 /X(b-c)/4 110610033 -2.130000000000000E+000 1.00000000E-037 /chi.ab ! !-------------------------------------------------------------------------------