VINYL CYANIDE - ground state, S-reduction Wed Jul 08 11:43:13 2009 28 3437 5 0 0.0000E+000 3.0000E+000 1.0000E+000 1.0000000000 s 1 2 0,50, , , , , , ,,,,, 10000 4.985069648791328E+004 1.00000000E+000 /A 20000 4.971163635307296E+003 1.00000000E+000 /B 30000 4.513877240851852E+003 1.00000000E+000 /C 200 -2.182439561684943E-003 1.00000000E+000 /-DJ 1100 8.501583134012614E-002 1.00000000E+000 /-DJK 2000 -2.714868199723107E+000 1.00000000E+000 /-DK 40100 -4.565329925930471E-004 1.00000000E+000 /d1 50000 -3.086861637399324E-005 1.00000000E+000 /d2 300 5.739337075594330E-009 1.00000000E+000 /HJ 1200 -2.841221294286286E-007 1.00000000E+000 /HJK 2100 -6.976299713890807E-006 1.00000000E+000 /HKJ 3000 3.839906384320275E-004 1.00000000E+000 /HK 40200 2.285778414928942E-009 1.00000000E+000 /h1 50100 3.591096699649344E-010 1.00000000E+000 /h2 60000 8.888218823468422E-011 1.00000000E+000 /h3 400 -2.237255578638300E-014 1.00000000E+000 /LJ 1300 1.540072575196426E-012 1.00000000E+000 /LJJK 2200 -6.813935998389173E-011 1.00000000E+000 /LJK 3100 1.234668303524158E-009 1.00000000E+000 /LKKJ 4000 -6.078317696285272E-008 1.00000000E+000 /LK 40300 -1.077842426208429E-014 1.00000000E+000 /l1 50200 -2.445756375115965E-015 1.00000000E+000 /l2 60100 -1.281039115766094E-015 1.00000000E+000 /l3 70000 -2.406310089882568E-016 1.00000000E+000 /l4 3200 -1.284377838576753E-013 1.00000000E+000 /PKJ 4100 -7.959710531795963E-014 1.00000000E+000 /PKKJ 5000 6.614233279052823E-012 1.00000000E+000 /PK 80000 1.000000000000000E-025 1.00000000E-035 /p5 ! !////////////////////////////////////////////////////////////////////////////// ! ! Below are backup copies of the PAR files used with the title LIN file, ! with a short summary of the corresponding results of fit: ! !------------------------------------------------------------------------------ ! 3 sigma cutoff, S-reduction !------------------------------------------------------------------------------ ! ! 294 lines rejected ! ! RMS ERROR= 1.02805 1.02805 ! MICROWAVE RMS = 0.127243 MHz ! VINYL CYANIDE - ground state, S-reduction Wed Jul 08 11:43:13 2009 28 3437 5 0 0.0000E+000 3.0000E+000 1.0000E+000 1.0000000000 s 1 2 0,50, , , , , , ,,,,, 10000 4.985069648791328E+004 1.00000000E+000 /A 20000 4.971163635307296E+003 1.00000000E+000 /B 30000 4.513877240851852E+003 1.00000000E+000 /C 200 -2.182439561684943E-003 1.00000000E+000 /-DJ 1100 8.501583134012614E-002 1.00000000E+000 /-DJK 2000 -2.714868199723107E+000 1.00000000E+000 /-DK 40100 -4.565329925930471E-004 1.00000000E+000 /d1 50000 -3.086861637399324E-005 1.00000000E+000 /d2 300 5.739337075594330E-009 1.00000000E+000 /HJ 1200 -2.841221294286286E-007 1.00000000E+000 /HJK 2100 -6.976299713890807E-006 1.00000000E+000 /HKJ 3000 3.839906384320275E-004 1.00000000E+000 /HK 40200 2.285778414928942E-009 1.00000000E+000 /h1 50100 3.591096699649344E-010 1.00000000E+000 /h2 60000 8.888218823468422E-011 1.00000000E+000 /h3 400 -2.237255578638300E-014 1.00000000E+000 /LJ 1300 1.540072575196426E-012 1.00000000E+000 /LJJK 2200 -6.813935998389173E-011 1.00000000E+000 /LJK 3100 1.234668303524158E-009 1.00000000E+000 /LKKJ 4000 -6.078317696285272E-008 1.00000000E+000 /LK 40300 -1.077842426208429E-014 1.00000000E+000 /l1 50200 -2.445756375115965E-015 1.00000000E+000 /l2 60100 -1.281039115766094E-015 1.00000000E+000 /l3 70000 -2.406310089882568E-016 1.00000000E+000 /l4 3200 -1.284377838576753E-013 1.00000000E+000 /PKJ 4100 -7.959710531795963E-014 1.00000000E+000 /PKKJ 5000 6.614233279052823E-012 1.00000000E+000 /PK 80000 1.000000000000000E-025 1.00000000E-035 /p5 ! !------------------------------------------------------------------------------ ! 3 sigma cutoff, A-reduction !------------------------------------------------------------------------------ ! ! 308 lines rejected ! ! RMS ERROR= 1.06013 1.06013 ! MICROWAVE RMS = 0.134594 MHz ! VINYL CYANIDE - ground state, A-reduction Wed Jul 08 11:36:04 2009 28 3437 5 0 0.0000E+000 3.0000E+000 1.0000E+000 1.0000000000 s 1 2 0,50, , , , , , ,,,,, 10000 4.985069595996595E+004 1.00000000E+000 /A 20000 4.971212829811479E+003 1.00000000E+000 /B 30000 4.513828163198627E+003 1.00000000E+000 /C 200 -2.244127371920218E-003 1.00000000E+000 /-DJ 1100 8.538590246152795E-002 1.00000000E+000 /-DJK 2000 -2.715189276590570E+000 1.00000000E+000 /-DK 40100 -4.566475259194995E-004 1.00000000E+000 /-dJ 41000 -2.462170018091834E-002 1.00000000E+000 /-dK 300 6.445348223259005E-009 1.00000000E+000 /HJ 1200 -1.170916931087882E-008 1.00000000E+000 /HJK 2100 -7.865743355164051E-006 1.00000000E+000 /HKJ 3000 3.846598625793051E-004 1.00000000E+000 /HK 40200 2.365872401017947E-009 1.00000000E+000 /hJ 41100 1.431905621431573E-007 1.00000000E+000 /hJK 42000 3.688329801875959E-005 1.00000000E+000 /hK 400 -2.662317766804360E-014 1.00000000E+000 /LJ 1300 -7.972464861316307E-013 1.00000000E+000 /LJJK 2200 -8.587804419279419E-011 1.00000000E+000 /LJK 3100 1.174563232410983E-009 1.00000000E+000 /LKKJ 4000 -6.075159073034146E-008 1.00000000E+000 /LK 40300 -1.148910992334202E-014 1.00000000E+000 /lJ 41200 -5.005776918952903E-013 1.00000000E+000 /lJK 42100 -1.359343067563457E-010 1.00000000E+000 /lKJ 43000 1.177695570225028E-009 1.00000000E+000 /lK 3200 -2.595919676969296E-014 1.00000000E+000 /PKJ 4100 -2.183650802594324E-013 1.00000000E+000 /PKKJ 5000 6.685904309666834E-012 1.00000000E+000 /PK 44000 1.000000000000000E-025 1.00000000E-035 /pK ! !------------------------------------------------------------------------------