tertiary butyl cyanide, fitted 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 = 3 Excess in F and J over value in data = 1 Dump options (0,1,2) = 0 Freq. contributions options (0,1,2) = 0 Number of transitions =500 ----------------------------------------- A = 0 4500. B = 0 2749.90955 C = 0 0.0 DJ = 0 .00031878 DJK = 0 .0038524 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 -4.2143 I1: Xbb-Xcc = 0 0.000000000000 I1: Xab = 0 0.000000000000 I1: XJ.a = 0 0.000000000000 I1: XK.a = 0 0.0 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 4.012674 mu.b = 0 .0 mu.c = 0 .0 d = 0 26.96 k 0 .0 1 0 1 0 0 0 2 0 2 0 5498.7638 0. 1 1 0 1 0 0 0 4 0 2 0 5500.0294 0. 1 1 0 1 0 0 0 0 0 2 0 5501.9236 0. 1 2 0 2 1 0 1 4 0 4 0 10998.3635 0. 1 2 0 2 1 0 1 2 0 0 0 10998.5746 0. 1 2 0 2 1 0 1 4 0 2 0 10999.6284 0. 1 2 0 2 1 0 1 6 0 4 0 10999.7198 0. 1 2 0 2 1 0 1 2 0 2 0 11001.7346 0. 1 2 1 1 1 1 0 4 0 2 0 10998.5584 0. 1 2 1 1 1 1 0 4 0 4 0 10999.1906 0. 1 2 1 1 1 1 0 2 0 2 0 10999.6145 0. 1 2 1 1 1 1 0 6 0 4 0 10999.8697 0. 1 2 1 1 1 1 0 2 0 0 0 11001.1925 0. 1 3 0 3 2 0 2 6 0 6 0 16498.0680 0. 1 3 0 3 2 0 2 4 0 2 0 16499.2114 0. 1 3 0 3 2 0 2 6 0 4 0 16499.4243 0. 1 3 0 3 2 0 2 8 0 6 0 16499.4762 0. 1 3 0 3 2 0 2 4 0 4 0 16501.3188 0. 1 3 1 2 2 1 1 6 0 6 0 16498.4589 0. 1 3 1 2 2 1 1 6 0 4 0 16499.1373 0. 1 3 1 2 2 1 1 8 0 6 0 16499.5141 0. 1 3 1 2 2 1 1 4 0 2 0 16499.5141 0. 0 3 1 2 2 1 1 4 0 4 0 16500.5595 0. 1 3 2 1 2 2 0 6 0 4 0 16498.2754 0. 1 3 2 1 2 2 0 8 0 6 0 16499.6329 0. 1 3 2 1 2 2 0 4 0 2 0 16500.3847 0. 1 2 0 2 1 0 1 2 0 0 0 10998.5746 0. 0 2 0 2 1 0 1 2 0 0 0 10998.5655 1742.9 1 2 0 2 1 0 1 4 0 2 0 10999.6284 0. 0 2 0 2 1 0 1 4 4 2 2 11000.6814 5023.1 1 2 0 2 1 0 1 6 0 4 0 10999.7198 0. 0 2 0 2 1 0 1 6 0 4 0 10999.6400 1742.9 1 2 0 2 1 0 1 6 0 4 0 10999.6655 2004.5 1 2 0 2 1 0 1 6 0 4 0 11000.0344 2996.0 1 2 0 2 1 0 1 6 0 4 0 11000.3854 3497.1 1 2 0 2 1 0 1 6 0 4 0 11000.8608 4015.3 1 2 0 2 1 0 1 6 2 4 2 10999.6270 1308.1 1 2 0 2 1 0 1 6 2 4 2 10999.5014 1742.9 1 2 0 2 1 0 1 6 2 4 2 10999.3847 2004.5 1 2 0 2 1 0 1 6 2 4 2 10998.6635 2996.0 1 2 0 2 1 0 1 6 2 4 2 10998.1506 3497.1 1 2 0 2 1 0 1 6 2 4 2 10997.5172 4018.0 1 2 0 2 1 0 1 6 2 4 2 10996.8524 4499.8 1 2 0 2 1 0 1 6 2 4 2 10996.0550 5023.1 1 2 0 2 1 0 1 6 2 4 2 10995.2631 5495.9 1 2 0 2 1 0 1 6 4 4 4 11000.1443 2004.5 1 2 0 2 1 0 1 6 4 4 4 11000.6960 2996.0 1 2 0 2 1 0 1 6 4 4 4 11001.0696 3497.1 1 2 0 2 1 0 1 6 4 4 4 11001.5268 4018.2 1 2 0 2 1 0 1 6 4 4 4 11002.0185 4499.8 1 ! ! Unidentified ! 2 0 2 1 0 1 6 4 4 4 11001.8100 4499.8 0 2 0 2 1 0 1 6 4 4 4 11002.4408 5023.1 0 2 0 2 1 0 1 6 4 4 4 11003.0680 5495.9 0 2 0 2 1 0 1 6 4 4 4 11003.7990 6002.6 0 2 0 2 1 0 1 6 4 4 4 11004.5899 6501.7 0 2 0 2 1 0 1 6 4 4 4 11005.4847 7026.5 0 ! ! DM=+1 ! 2 0 2 1 0 1 6 6 4 4 11000.5878 4015.3 0 2 0 2 1 0 1 6 6 4 4 11000.8033 4499.8 0 2 0 2 1 0 1 2 0 2 0 11001.7346 0. 0 2 0 2 1 0 1 2 2 2 2 11003.6778 4932.6 1 2 0 2 1 0 1 2 2 2 2 11004.3053 5450.7 1 2 0 2 1 0 1 2 2 2 2 11004.9357 5915.8 1 ! ! Second order for K=1 ! ! Beaty 2 1 1 1 1 0 6 0 4 0 10999.8697 0. 0 2 1 1 1 1 0 6 0 4 0 11000.6779 1640.1 1 2 1 1 1 1 0 6 0 4 0 11001.0170 2318.0 1 2 1 1 1 1 0 6 0 4 0 11001.3614 2847.2 1 2 1 1 1 1 0 6 0 4 0 11001.7040 3289.8 1 2 1 1 1 1 0 6 0 4 0 11002.0383 3669.8 1 2 1 1 1 1 0 6 0 4 0 11002.7306 4351.0 1 2 1 1 1 1 0 6 0 4 0 11003.4109 4932.6 1 2 1 1 1 1 0 6 0 4 0 11004.0890 5450.7 1 2 1 1 1 1 0 6 0 4 0 11004.7557 5915.8 1 2 1 1 1 1 0 6 0 4 0 11005.4442 6361.9 1 ! ! Saszy 2 1 2 1 1 1 4 2 2 2 11000.3545 2950.8 1 2 1 1 1 1 0 4 2 4 2 11000.3545 2950.8 1 2 1 2 1 1 1 4 2 2 2 11000.7966 3499.4 1 2 1 1 1 1 0 4 2 4 2 11000.7966 3499.4 1 2 1 2 1 1 1 4 2 2 2 11001.3234 4045.3 1 2 1 1 1 1 0 4 2 4 2 11001.3234 4045.3 1 2 1 1 1 1 0 4 2 2 2 11002.3077 4913.1 1 2 1 2 1 1 1 4 2 4 2 11002.3077 4913.1 1 2 1 1 1 1 0 4 2 2 2 11003.0232 5463.5 1 2 1 2 1 1 1 4 2 4 2 11003.0232 5463.5 1 2 1 1 1 1 0 4 2 2 2 11003.6459 5898.5 1 2 1 2 1 1 1 4 2 4 2 11003.6459 5898.5 1 ! ! Low voltage measurements (BUTCNB and BUTCNK) ! ! principal triplet to low frequency ! !--lowest frequency component - note switch in F, in either upper or lower ! energy level 2 1 1 1 1 0 6 2 2 2 10997.9377 60.15 0 2 1 1 1 1 0 6 2 2 2 10996.9647 100.15 0 2 1 1 1 1 0 6 2 2 2 10995.7362 150.18 0 2 1 1 1 1 0 6 2 2 2 10995.7334 150.36 0 2 1 1 1 1 0 6 2 2 2 10994.9948 180.21 0 2 1 1 1 1 0 6 2 2 2 10994.5138 199.58 0 2 1 1 1 1 0 6 2 2 2 10994.2516 210.31 0 2 1 1 1 1 0 6 2 2 2 10993.5100 240.21 0 2 1 1 1 1 0 6 2 2 2 10992.7755 269.88 0 2 1 1 1 1 0 6 2 2 2 10992.0287 299.74 0 ! !--intermediate frequency component 2 1 1 1 1 0 4 4 4 4 10997.9818 60.15 0 2 1 1 1 1 0 4 4 4 4 10997.0377 100.15 0 2 1 1 1 1 0 4 4 4 4 10995.8186 150.18 0 2 1 1 1 1 0 4 4 4 4 10995.8170 150.36 0 2 1 1 1 1 0 6 4 4 4 10995.0835 180.21 0 2 1 1 1 1 0 6 4 4 4 10994.6024 199.58 0 2 1 1 1 1 0 6 4 4 4 10994.3397 210.31 0 2 1 1 1 1 0 6 4 4 4 10993.5972 240.21 0 2 1 1 1 1 0 6 4 4 4 10992.8606 269.88 0 2 1 1 1 1 0 6 4 4 4 10992.1144 299.74 0 ! !--highest frequency component 2 1 1 1 1 0 2 0 2 0 10998.1867 60.15 0 2 1 1 1 1 0 2 0 2 0 10997.1565 100.15 0 2 1 1 1 1 0 2 0 2 0 10995.8939 150.18 0 2 1 1 1 1 0 2 0 2 0 10995.8920 150.36 0 2 1 1 1 1 0 2 0 2 0 10995.1422 180.21 0 2 1 1 1 1 0 2 0 2 0 10994.6549 199.58 0 2 1 1 1 1 0 2 0 2 0 10994.3924 210.31 0 2 1 1 1 1 0 2 0 2 0 10993.6392 240.21 0 2 1 1 1 1 0 2 0 2 0 10992.8978 269.88 0 2 1 1 1 1 0 2 0 2 0 10992.1476 299.74 0 ! ! principal multiplet to high frequency ! !--highest frequency component 2 1 2 1 1 1 6 4 4 4 11001.2506 60.15 0 2 1 2 1 1 1 6 4 4 4 11002.2257 100.15 0 2 1 2 1 1 1 6 4 4 4 11003.4601 150.18 0 2 1 2 1 1 1 6 4 4 4 11003.4611 150.36 0 2 1 2 1 1 1 6 4 4 4 11004.1807 179.33 0 2 1 2 1 1 1 6 4 4 4 11004.6864 199.58 0 2 1 2 1 1 1 6 4 4 4 11004.9472 210.31 0 2 1 2 1 1 1 6 4 4 4 11005.6943 240.21 0 2 1 2 1 1 1 6 4 4 4 11006.4279 269.80 0 2 1 2 1 1 1 6 4 4 4 11007.1585 299.74 0 ! !--lowest frequency, strong component 2 1 2 1 1 1 6 2 4 2 0.0 60.15 0 2 1 2 1 1 1 6 2 4 2 0.0 100.15 0 2 1 2 1 1 1 4 2 4 2 11003.3887 150.18 0 2 1 2 1 1 1 4 2 4 2 11003.3902 150.36 0 2 1 2 1 1 1 4 2 4 2 11004.1047 179.33 0 2 1 2 1 1 1 6 2 4 2 11004.6071 199.58 0 2 1 2 1 1 1 6 2 4 2 11004.8716 210.31 0 2 1 2 1 1 1 6 2 4 2 11005.6138 240.21 0 2 1 2 1 1 1 6 2 4 2 11006.3486 269.80 0 2 1 2 1 1 1 6 2 4 2 11007.0921 299.74 0 end end