tertiary butyl isocyanide (MMW+remeasured FTMW constants) ----------------------------------------- Fit frequencies(1) or differences(2) = 1 spin of nucleus 1 (units of 1/2) = 2 spin of nucleus 2 (units of 1/2) = 0 Number of iterations (<1=prediction) = 2 Excess in F and J over value in data = 1 Dump options (0,1,2,3) = 0 Freq. contributions options (0,1,2) = 0 Number of transitions =200 ----------------------------------------- A = 0 4500. B = 0 2932.174952 C = 0 2932.174952 DJ = 0 .00035377 DJK = 0 .00413769 DK = 0 0.0 dJ = 0 .000000000000 dK = 0 .000000000000 HJ = 0 .0000000 HJK = 0 .000000000000 HKJ = 0 .000000000000 HK = 0 .000000000000 hJ = 0 .000000000000 hJK = 0 .000000000000 hK = 0 .000000000000 LKKJ = 0 .000000000000 I1: X.aa = 0 0.1568 I1: Xbb-Xcc = 0 0.000000000000 I1: Xab = 0 0.000000000000 I1: XJ.a = 0 0.000000000000 I1: XK.a = 0 0.000000000000 I1: XJbc = 0 .000000000000 I1: Ma = 0 .000 I1: Mb-c = 0 .000000000000 I1: Tr = 0 .00 = 0 .000000000000 = 0 .000000000000 = 0 .000000000000 = 0 .000000000000 = 0 .000000000000 = 0 .000000000000 mu.a = 1 4.067 mu.b = 0 .0 mu.c = 0 .0 d = 0 26.96 k 0 .0 ! ! remeasured (in fit) and old (not fitted) field free frequencies ! 1 0 1 0 0 0 0 0 2 0 5864.2705 0. 1 1 0 1 0 0 0 4 0 2 0 5864.3396 0. 1 1 0 1 0 0 0 2 0 2 0 5864.3883 0. 1 2 0 2 1 0 1 2 0 2 0 11728.6106 0. 1 2 0 2 1 0 1 6 0 4 0 11728.6851 0. 1 2 0 2 1 0 1 4 0 2 0 11728.6863 0. 0 2 0 2 1 0 1 2 0 0 0 0.0 0. 0 2 0 2 1 0 1 4 0 4 0 11728.7389 0. 0 2 1 2 1 1 1 2 0 0 0 11728.6034 0.0 0 2 1 2 1 1 1 6 0 4 0 11728.6554 0.0 0 2 1 2 1 1 1 2 0 2 0 0.0 0.0 0 2 1 2 1 1 1 4 0 4 0 0.0 0.0 0 2 1 2 1 1 1 4 0 2 0 0.0 0.0 0 ! ! main DeltaM=0 branch to high frequency ! 2 1 2 1 1 1 6 0 4 0 11730.6171 4028.5 0 2 1 1 1 1 0 6 0 4 0 11730.6171 4028.5 0 2 0 2 1 0 1 6 2 4 2 11730.6525 4028.5 0 2 1 1 1 1 0 4 2 2 2 11730.6525 4028.5 0 2 0 2 1 0 1 6 4 4 4 11730.6525 4028.5 0 2 1 2 1 1 1 6 0 4 0 11729.5854 2779.2 0 2 1 1 1 1 0 6 0 4 0 11729.5854 2779.2 0 2 0 2 1 0 1 6 2 4 2 11729.6053 2779.2 0 2 1 1 1 1 0 4 2 2 2 11729.6233 2779.2 0 2 1 2 1 1 1 6 0 4 0 11730.6157 4029.6 0 2 1 1 1 1 0 6 0 4 0 11730.6157 4029.6 0 2 0 2 1 0 1 6 2 4 2 11730.6349 4029.6 0 2 1 1 1 1 0 4 2 2 2 11730.6547 4029.6 0 ! !--Kasten and Dreizler points 2 1 2 1 1 1 6 0 4 0 11729.112 1906.2 0 2 1 1 1 1 0 6 0 4 0 11729.112 1906.2 0 2 0 2 1 0 1 6 2 4 2 11729.112 1906.2 0 2 1 1 1 1 0 4 2 2 2 11729.112 1906.2 0 2 0 2 1 0 1 6 4 4 4 11729.112 1906.2 0 2 1 2 1 1 1 6 0 4 0 11730.372 3807.4 0 2 1 1 1 1 0 6 0 4 0 11730.372 3807.4 0 2 0 2 1 0 1 6 2 4 2 11730.372 3807.4 0 2 1 1 1 1 0 4 2 2 2 11730.372 3807.4 0 2 0 2 1 0 1 6 4 4 4 11730.372 3807.4 0 2 1 2 1 1 1 6 0 4 0 11731.105 4443.2 0 2 1 1 1 1 0 6 0 4 0 11731.105 4443.2 0 2 0 2 1 0 1 6 2 4 2 11731.105 4443.2 0 2 1 1 1 1 0 4 2 2 2 11731.105 4443.2 0 2 0 2 1 0 1 6 4 4 4 11731.105 4443.2 0 2 1 2 1 1 1 6 0 4 0 11731.810 5076.3 0 2 1 1 1 1 0 6 0 4 0 11731.810 5076.3 0 2 0 2 1 0 1 6 2 4 2 11731.810 5076.3 0 2 1 1 1 1 0 4 2 2 2 11731.810 5076.3 0 2 0 2 1 0 1 6 4 4 4 11731.810 5076.3 0 ! ! main DeltaM=0 branch to low frequency ! 2 0 2 1 0 1 4 2 2 2 0.0 0.0 0 2 0 2 1 0 1 4 2 2 2 11728.3464 1505.9 1 2 0 2 1 0 1 4 2 2 2 11728.0739 2021.9 1 2 0 2 1 0 1 4 2 2 2 11727.6585 2617.3 1 2 0 2 1 0 1 4 2 2 2 11727.3175 3022.5 1 2 0 2 1 0 1 4 2 2 2 11727.3314 3005.5 1 2 0 2 1 0 1 4 2 2 2 11726.2852 4003.7 1 !---from BUTNCST 2 0 2 1 0 1 4 2 2 2 11726.8517 3501.2 1 2 0 2 1 0 1 4 2 2 2 11725.7272 4447.4 1 ! ! main DeltaM=+-1 branch to high frequency ! 2 0 2 1 0 1 2 0 2 0 0.0 2208.3 0 2 1 2 1 1 1 6 0 4 0 11729.2400 2208.3 0 2 1 1 1 1 0 6 0 4 0 11729.2400 2208.3 0 2 0 2 1 0 1 6 2 4 2 11729.2613 2208.3 0 2 1 1 1 1 0 4 2 2 2 11729.2767 2208.3 0 2 0 2 1 0 1 4 0 2 0 0.0 2208.3 0 2 0 2 1 0 1 6 4 4 4 0.0 2208.3 0 2 0 2 1 0 1 2 0 0 0 0.0 2208.3 0 2 0 2 1 0 1 2 0 2 0 0.0 3005.5 0 2 1 2 1 1 1 6 0 4 0 11729.7455 3005.5 0 2 1 1 1 1 0 6 0 4 0 11729.7455 3005.5 0 2 0 2 1 0 1 6 2 4 2 11729.7679 3005.5 0 2 1 1 1 1 0 4 2 2 2 11729.7826 3005.5 0 2 0 2 1 0 1 4 0 2 0 0.0 3005.5 0 2 0 2 1 0 1 6 4 4 4 0.0 3005.5 0 2 0 2 1 0 1 2 0 0 0 0.0 3005.5 0 2 0 2 1 0 1 2 0 2 0 0.0 3608.6 0 2 1 2 1 1 1 6 0 4 0 11730.2315 3608.6 0 2 1 1 1 1 0 6 0 4 0 11730.2315 3608.6 0 2 0 2 1 0 1 6 2 4 2 11730.2541 3608.6 0 2 1 1 1 1 0 4 2 2 2 11730.2679 3608.6 0 2 0 2 1 0 1 4 0 2 0 0.0 3608.6 0 2 0 2 1 0 1 6 4 4 4 0.0 3608.6 0 2 0 2 1 0 1 2 0 0 0 0.0 3608.6 0 2 0 2 1 0 1 2 0 2 0 0.0 4003.7 0 2 1 2 1 1 1 6 0 4 0 11730.5956 4003.7 0 2 1 1 1 1 0 6 0 4 0 11730.5956 4003.7 0 2 0 2 1 0 1 6 2 4 2 11730.6278 4003.7 0 2 1 1 1 1 0 4 2 2 2 11730.6278 4003.7 0 2 0 2 1 0 1 4 0 2 0 0.0 4003.7 0 2 0 2 1 0 1 6 4 4 4 0.0 4003.7 0 2 0 2 1 0 1 2 0 0 0 0.0 4003.7 0 ! ! the slower DeltaM=+-1 branch to high frequency ! 2 0 2 1 0 1 2 2 2 0 11729.4587 4005.5 1 2 0 2 1 0 1 6 6 4 4 11729.5026 4005.5 1 2 0 2 1 0 1 4 4 4 2 11729.5244 4005.5 1 2 0 2 1 0 1 2 2 0 0 11729.5546 4005.5 1 2 0 2 1 0 1 4 0 4 2 11730.6294 4005.5 0 2 0 2 1 0 1 6 2 4 4 11730.6294 4005.5 1 ! ! main DeltaM=+-1 branch to low frequency ! !---from BUTNCSC 2 0 2 1 0 1 4 0 2 2 11725.9290 4005.5 0 2 0 2 1 0 1 6 2 4 0 11725.9290 4005.5 1 !---from BUTNCSD 2 0 2 1 0 1 4 0 2 2 11728.0112 2011.4 0 2 0 2 1 0 1 6 2 4 0 11728.0112 2011.4 1 2 0 2 1 0 1 4 0 2 2 11727.6721 2455.3 0 2 0 2 1 0 1 6 2 4 0 11727.6721 2455.2 1 2 0 2 1 0 1 4 0 2 2 11727.1406 3012.7 0 2 0 2 1 0 1 6 2 4 0 11727.1406 3012.7 1 2 0 2 1 0 1 4 0 2 2 11725.9154 4019.7 0 2 0 2 1 0 1 6 2 4 0 11725.9154 4019.7 1 2 0 2 1 0 1 4 0 2 2 11725.1861 4515.9 0 2 0 2 1 0 1 6 2 4 0 11725.1861 4515.9 1 2 0 2 1 0 1 4 0 2 2 0.0000 5005.5 0 2 0 2 1 0 1 6 2 4 0 0.0000 5005.5 0 !---from BUTNCSP 2 0 2 1 0 1 4 0 2 2 11728.0055 2011.6 0 2 0 2 1 0 1 6 2 4 0 11728.0055 2011.6 1 2 0 2 1 0 1 4 0 2 2 11727.6655 2454.0 0 2 0 2 1 0 1 6 2 4 0 11727.6655 2454.0 1 2 0 2 1 0 1 4 0 2 2 11727.1365 3014.6 0 2 0 2 1 0 1 6 2 4 0 11727.1365 3014.6 1 2 0 2 1 0 1 4 0 2 2 11725.9103 4021.1 0 2 0 2 1 0 1 6 2 4 0 11725.9103 4021.1 1 !---from BUTNCST 2 0 2 1 0 1 6 2 4 0 11726.5770 3506.2 1 2 0 2 1 0 1 6 2 4 0 11725.2874 4447.4 1 ! ! J=1<-0 measurements ! 1 0 1 0 0 0 2 2 2 2 5865.7074 1602.0 1 1 0 1 0 0 0 4 0 2 0 5865.6627 1602.0 1 1 0 1 0 0 0 2 2 2 2 5866.4719 2007.4 1 1 0 1 0 0 0 4 0 2 0 5866.4342 2007.4 1 ! ! low voltage measurements ! 2 1 2 1 1 1 6 0 4 0 0.0 0.0 0 2 1 2 1 1 1 6 4 4 4 11729.9359 50.17 0 2 1 2 1 1 1 6 4 4 4 11731.2001 99.98 0 2 1 2 1 1 1 6 4 4 4 11732.4768 150.22 0 2 1 2 1 1 1 6 4 4 4 11733.7452 200.08 0 2 1 2 1 1 1 6 4 4 4 11735.0242 250.31 0 2 1 2 1 1 1 6 4 4 4 11736.2979 300.34 0 2 1 1 1 1 0 2 2 2 2 0.0 0.0 0 2 1 1 1 1 0 2 2 2 2 11729.9359 50.17 0 2 1 1 1 1 0 2 2 2 2 11731.2001 99.98 0 2 1 1 1 1 0 2 2 2 2 11732.4768 150.22 0 2 1 1 1 1 0 2 2 2 2 11733.7452 200.08 0 2 1 1 1 1 0 2 2 2 2 11735.0242 250.31 0 2 1 1 1 1 0 2 2 2 2 11736.2979 300.34 0 2 1 1 1 1 1 6 0 4 0 0.0 0.0 0 2 1 1 1 1 0 6 4 4 4 11727.4053 50.17 0 2 1 1 1 1 0 6 4 4 4 11726.1415 99.98 0 2 1 1 1 1 0 6 4 4 4 11724.8671 150.22 0 2 1 1 1 1 0 6 4 4 4 11723.6023 200.08 0 2 1 1 1 1 0 6 4 4 4 11722.3276 250.31 0 2 1 1 1 1 0 6 4 4 4 11721.0602 300.34 0 2 1 1 1 1 1 6 2 4 2 0.0 0.0 0 2 1 1 1 1 0 6 2 4 2 11727.4053 50.17 0 2 1 1 1 1 0 6 2 4 2 11726.1415 99.98 0 2 1 1 1 1 0 6 2 4 2 11724.8671 150.22 0 2 1 1 1 1 0 6 2 4 2 11723.6023 200.08 0 2 1 1 1 1 0 6 2 4 2 11722.3276 250.31 0 2 1 1 1 1 0 6 2 4 2 11721.0602 300.34 0 end