Glycolic acid, gs of the principal conformer Fri Aug 14 14:44:37 2015 15 2166 5 0 0.0000E+000 1.0000E+002 -1.0000E+000 1.0000000000 s 1 1 0, , , , , , , ,,,,, 10000 1.069609254226703E+004 1.00000000E+000 /A 20000 4.051032058342533E+003 1.00000000E+000 /B 30000 2.994662719364615E+003 1.00000000E+000 /C 200 -8.170888033636374E-004 1.00000000E+000 /-DJ 1100 -3.214417716021920E-003 1.00000000E+000 /-DJK 2000 -5.684016572744192E-003 1.00000000E+000 /-DK 40100 -2.096353003071294E-004 1.00000000E+000 /-dJ 41000 -2.623671287555381E-003 1.00000000E+000 /-dK 300 6.687999641409202E-011 1.00000000E+000 /HJ 1200 -5.953366438435966E-009 1.00000000E+000 /HJK 2100 -2.259081951550133E-008 1.00000000E+000 /HKJ 3000 4.314639400833579E-008 1.00000000E+000 /HK 40200 2.841653901609232E-011 1.00000000E+000 /hJ 41100 -2.450000474193031E-009 1.00000000E+000 /hJK 42000 1.511661879011637E-008 1.00000000E+000 /hK ! !------------------------------------------------------------------------------ ! Adding more lines from mmw unidirectional scans ! ! RMS ERROR= 0.60883 0.60883 ! Glycolic acid, gs of the principal conformer Tue Nov 25 10:43:12 2014 15 2166 5 0 0.0000E+000 1.0000E+002 1.0000E+000 1.0000000000 s 1 1 0, , , , , , , ,,,,, 10000 1.069609254226703E+004 1.00000000E+000 /A 20000 4.051032058342533E+003 1.00000000E+000 /B 30000 2.994662719364615E+003 1.00000000E+000 /C 200 -8.170888033636374E-004 1.00000000E+000 /-DJ 1100 -3.214417716021920E-003 1.00000000E+000 /-DJK 2000 -5.684016572744192E-003 1.00000000E+000 /-DK 40100 -2.096353003071294E-004 1.00000000E+000 /-dJ 41000 -2.623671287555381E-003 1.00000000E+000 /-dK 300 6.687999641409202E-011 1.00000000E+000 /HJ 1200 -5.953366438435966E-009 1.00000000E+000 /HJK 2100 -2.259081951550133E-008 1.00000000E+000 /HKJ 3000 4.314639400833579E-008 1.00000000E+000 /HK 40200 2.841653901609232E-011 1.00000000E+000 /hJ 41100 -2.450000474193031E-009 1.00000000E+000 /hJK 42000 1.511661879011637E-008 1.00000000E+000 /hK ! !------------------------------------------------------------------------------ ! Converted from the old .ASF file ! ! RMS ERROR= 0.67351 0.67351 ! Glycolic acid, gs of the principal conformer (hydroxyl tMon Jan 27 09:30:38 2014 15 1217 5 0 0.0000E+000 1.0000E+002 1.0000E+000 1.0000000000 s 1 1 0, , , , , , , ,,,,, 10000 1.069609244884186E+004 1.00000000E+020 /A 20000 4.051032102684565E+003 1.00000000E+020 /B 30000 2.994662839197270E+003 1.00000000E+020 /C 200 -8.171441796072010E-004 1.00000000E+020 /-DJ 1100 -3.214385514324772E-003 1.00000000E+020 /-DJK 2000 -5.683432906283280E-003 1.00000000E+020 /-DK 40100 -2.096215325602531E-004 1.00000000E+020 /-dJ 41000 -2.624042812203944E-003 1.00000000E+020 /-dK 300 7.692901373203834E-011 1.00000000E+020 /HJ 1200 -6.029095610662670E-009 1.00000000E+020 /HJK 2100 -2.240099730654728E-008 1.00000000E+020 /HKJ 3000 4.283033559397542E-008 1.00000000E+020 /HK 40200 2.572344821473879E-011 1.00000000E+020 /hJ 41100 -2.344137100211015E-009 1.00000000E+020 /hJK 42000 1.459170808244558E-008 1.00000000E+020 /hK ! !------------------------------------------------------------------------------