Salicyl aldehyde, ground state ----------------------------------------- Fit frequencies(1) or differences(2) = 1 spin of nucleus 1 (units of 1/2) = 0 spin of nucleus 2 (units of 1/2) = 0 Number of iterations = 3 Excess in F and J over value in data = 2 Dump options (0,1,2) = 0 Freq. contributions options (0,1,2) = 0 Number of transitions =190 ----------------------------------------- A = 0 3215.950106 B = 0 1493.637567 C = 0 1020.120217 DJ = 0 0.0000381686 DJK = 0 0.0001426987 DK = 0 0.0003238066 dJ = 0 0.0000101693 dK = 0 0.0001225694 HJ = 0 .00000000000 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 0.0 I1: Xbb-Xcc = 0 0.0 I1: Xab = 0 0.000000000000 I1: XJ.a = 0 0.000000000000 I1: XK.a = 0 0.000000000000 I1: XJ.bc = 0 .000000000000 I1: Maa = 0 .000000000000 I1: Mbb-Mcc = 0 0.000000000000 I1: Trace(M) = 0 0.000000000000 I1: Xd = 0 0.000000000000 = 0 .000000000000 = 0 .000000000000 = 0 .000000000000 = 0 .000000000000 = 0 .000000000000 mu.a = 1 2.34 mu.b = 1 1.81 mu.c = 0 0.00 d = 0 26.95 k = 0 0.00000000 ! ! a.R-type ! 4 0 4 3 0 3 8 6 6 6 9331.7310 0.0 1 ! 4 0 4 3 0 3 8 6 6 6 9332.0066 1830.1 1 4 0 4 3 0 3 8 4 6 4 9331.8527 1830.1 1 4 0 4 3 0 3 8 2 6 2 9331.7566 1830.1 1 4 0 4 3 0 3 8 0 6 0 9331.7265 1830.1 1 ! 4 0 4 3 0 3 8 6 6 6 9332.2996 2636.8 1 4 0 4 3 0 3 8 4 6 4 9331.9803 2636.8 1 4 0 4 3 0 3 8 2 6 2 9331.7838 2636.8 1 4 0 4 3 0 3 8 0 6 0 9331.7205 2636.8 1 ! 4 0 4 3 0 3 8 6 6 6 9332.5835 3233.9 1 4 0 4 3 0 3 8 4 6 4 9332.1039 3233.9 1 4 0 4 3 0 3 8 2 6 2 9331.8147 3233.9 1 4 0 4 3 0 3 8 0 6 0 9331.7121 3233.9 1 ! 4 0 4 3 0 3 8 6 6 6 9332.8795 3748.0 1 4 0 4 3 0 3 8 4 6 4 9332.2311 3748.0 1 4 0 4 3 0 3 8 2 6 2 9331.8445 3748.0 1 4 0 4 3 0 3 8 0 6 0 9331.7104 3748.0 1 ! 4 2 3 3 2 2 8 6 6 6 9988.4424 0. 1 ! 4 2 3 3 2 2 8 6 6 6 9991.8447 1830.1 1 4 2 3 3 2 2 8 4 6 4 9990.1066 1830.1 1 4 2 3 3 2 2 8 2 6 2 9989.0502 1830.1 1 4 2 3 3 2 2 8 0 6 0 9988.6970 1830.1 1 ! 4 2 3 3 2 2 8 2 6 2 9989.7088 2636.8 1 4 2 3 3 2 2 8 0 6 0 9988.9654 2636.8 1 ! 4 2 3 3 2 2 8 2 6 2 9990.3594 3233.9 1 4 2 3 3 2 2 8 0 6 0 9989.2271 3233.9 1 ! 4 2 3 3 2 2 8 2 6 2 9991.0353 3748.0 1 4 2 3 3 2 2 8 0 6 0 9989.4942 3748.0 1 ! ! b.R-type ! 4 1 4 3 0 3 8 6 6 6 9860.7888 0.0 1 ! 4 1 4 3 0 3 8 6 6 6 9861.0935 1830.1 1 4 1 4 3 0 3 8 4 6 4 9860.9288 1830.1 1 4 1 4 3 0 3 8 2 6 2 9860.8244 1830.1 1 4 1 4 3 0 3 8 0 6 0 9860.7943 1830.1 1 ! 4 1 4 3 0 3 8 6 6 6 9861.4193 2636.8 1 4 1 4 3 0 3 8 4 6 4 9861.0758 2636.8 1 4 1 4 3 0 3 8 2 6 2 9860.8630 2636.8 1 4 1 4 3 0 3 8 0 6 0 9860.8000 2636.8 1 ! 4 1 4 3 0 3 8 6 6 6 9861.7373 3233.9 1 4 1 4 3 0 3 8 4 6 4 9861.2190 3233.9 1 4 1 4 3 0 3 8 2 6 2 9860.9098 3233.9 1 4 1 4 3 0 3 8 0 6 0 9860.8030 3233.9 1 ! 4 1 4 3 0 3 8 6 6 6 9862.0599 3748.0 1 4 1 4 3 0 3 8 4 6 4 9861.3656 3748.0 1 4 1 4 3 0 3 8 2 6 2 9860.9490 3748.0 1 4 1 4 3 0 3 8 0 6 0 9860.8114 3748.0 1 ! 4 1 4 3 0 3 8 6 6 6 9863.1205 5070.3 1 4 1 4 3 0 3 8 4 6 4 9861.8465 5070.3 1 4 1 4 3 0 3 8 2 6 2 9861.0818 5070.3 1 4 1 4 3 0 3 8 0 6 0 9860.8235 5070.3 1 ! 4 2 3 3 1 2 8 6 6 6 14503.8505 0. 1 ! 4 2 3 3 1 2 8 6 6 6 14503.3552 1830.1 1 4 2 3 3 1 2 8 4 6 4 14503.7442 1830.1 1 4 2 3 3 1 2 8 2 6 2 14503.9878 1830.1 1 4 2 3 3 1 2 8 0 6 0 14504.0636 1830.1 1 ! 4 2 3 3 1 2 8 6 6 6 14502.9102 2636.8 1 4 2 3 3 1 2 8 4 6 4 14503.6779 2636.8 1 4 2 3 3 1 2 8 2 6 2 14504.1352 2636.8 1 4 2 3 3 1 2 8 0 6 0 14504.2818 2636.8 1 ! 4 2 3 3 1 2 8 6 6 6 14502.6691 3233.9 1 4 2 3 3 1 2 8 4 6 4 14503.6686 3233.9 1 4 2 3 3 1 2 8 2 6 2 14504.2898 3233.9 1 4 2 3 3 1 2 8 0 6 0 14504.4950 3233.9 1 end