SA 18OH: quartics from 0.948f scaled MP2/6-31G** harmonic force field ----------------------+++++------------------------------------------------------------- number of transitions: 8 number of constants : 8 -----++++++++++++++++++++++++++++++----------------------------------------------------- 1 3100.3285992982778225269 A Reduction-A, Representation-I.r 1 1484.4481385469816814293 B 1 1003.9940541698238121171 C 0 0.0000362012000000000 DJ 0 0.0001518828000000000 DJK 0 0.0003262302000000000 DK 0 0.0000103690000000000 dJ 0 0.0001120465000000000 dK ---------------------------------------------------------------------------------------- J' K-1' K+1' J K-1 K+1 frequency error fit? blend Note +++++-----+++++-----+++++-----++++++++++++++++++++---------------+++++----------++++++++ ! ! a.R-type ! 3 1 2 2 1 1 0.000000 0.003000 0 ! 4 0 4 3 0 3 9183.695900 0.003000 1 4 1 4 3 1 3 8837.587800 0.003000 1 4 1 3 3 1 2 10693.370700 0.003000 1 ! 5 1 5 4 1 4 10936.642600 0.003000 1 ! ! b.R-type ! 2 2 0 1 1 1 10877.554500 0.003000 1 ! 3 2 2 2 1 1 12312.953600 0.003000 1 ! 4 1 4 3 0 3 9639.630500 0.003000 1 +++++-----+++++-----+++++-----++++++++++++++++++++---------------+++++----------++++++++ ----------------------------------------------------------------------------------------