SA 13C6: quartics from 0.948f scaled MP2/6-31G** harmonic force field ----------------------+++++------------------------------------------------------------- number of transitions: 8 number of constants : 8 -----++++++++++++++++++++++++++++++----------------------------------------------------- 1 3172.3489840043557705940 A Reduction-A, Representation-I.r 1 1491.0119164915943201777 B 1 1014.4765431718618629020 C 0 0.0000370954000000000 DJ 0 0.0001497728000000000 DJK 0 0.0003059949000000000 DK 0 0.0000107632000000000 dJ 0 0.0001167537000000000 dK ---------------------------------------------------------------------------------------- J' K-1' K+1' J K-1 K+1 frequency error fit? blend Note +++++-----+++++-----+++++-----++++++++++++++++++++---------------+++++----------++++++++ ! ! a.R-type ! 4 0 4 3 0 3 9280.102500 0.002000 1 4 1 4 3 1 3 8920.076800 0.002000 1 4 1 3 3 1 2 10765.840500 0.002000 1 ! 5 1 5 4 1 4 11043.138000 0.002000 1 ! 3 1 2 2 1 1 0.000000 0.002000 0 ! ! b.R-type ! 2 2 0 1 1 1 11095.768100 0.002000 1 ! 3 2 2 2 1 1 12560.465200 0.002000 1 ! 4 1 4 3 0 3 9780.078100 0.002000 1 +++++-----+++++-----+++++-----++++++++++++++++++++---------------+++++----------++++++++ ----------------------------------------------------------------------------------------