SA D7: quartics from 0.948f scaled MP2/6-31G** harmonic force field ----------------------+++++------------------------------------------------------------- number of transitions: 11 number of constants : 8 -----++++++++++++++++++++++++++++++----------------------------------------------------- 1 3125.5391442824929981725 A Reduction-A, Representation-I.r 1 1479.4393764793405807723 B 1 1004.3452062287116177686 C 0 0.0000368529000000000 DJ 0 0.0001299683000000000 DJK 0 0.0002992898000000000 DK 0 0.0000108528000000000 dJ 0 0.0001085995000000000 dK ---------------------------------------------------------------------------------------- J' K-1' K+1' J K-1 K+1 frequency error fit? blend Note +++++-----+++++-----+++++-----++++++++++++++++++++---------------+++++----------++++++++ ! ! a.R-type ! 5 1 5 4 1 4 10935.723600 0.002000 1 5 0 5 4 0 4 11166.996700 0.002000 1 5 1 4 4 1 3 13105.109900 0.002000 1 ! 6 1 6 5 1 5 13000.014100 0.002000 1 6 0 6 5 0 5 13129.057400 0.002000 1 6 1 5 5 1 4 15353.713500 0.002000 1 ! 7 1 7 6 1 6 15039.101200 0.002000 1 ! ! b.R-type ! ! 5 0 5 4 1 4 10687.040800 0.002000 1 5 1 5 4 0 4 11415.669900 0.002000 1 ! 7 0 7 6 1 6 14984.379400 0.002000 1 7 1 7 6 0 6 15158.740000 0.002000 1 +++++-----+++++-----+++++-----++++++++++++++++++++---------------+++++----------++++++++ ----------------------------------------------------------------------------------------