(H2O)2...H79Br, state S ----------------------------------------- Fit frequencies(1) or differences(2) = 1 spin of nucleus 1 (units of 1/2) = 3 spin of nucleus 2 (units of 1/2) = 0 Number of iterations = 2 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 = 24 ----------------------------------------- A = 0 6768.780 B = 0 2076.8329 C = 0 1592.11437 DJ = 0 .004129 DJK = 0 .00756 DK = 0 -.049 dJ = 0 .0010225 dK = 0 .01191 HJ = 0 .000000 HJK = 0 .00000 HKJ = 0 .0000 HK = 0 .0000 hJ = 0 .000000000000 hJK = 0 .000000000000 hK = 0 .000000000000 LKKJ = 0 .000000000000 I1: X.aa = 0 161.9589 I1: Xbb-Xcc = 0 257.8324 I1: Xab = 0 -287.250 I2: X.aa = 0 0.000000000000 I2: Xbb-Xcc = 0 0.000000000000 I2: Xab = 0 .000000000000 I1: Maa = 0 .000000000000 I1: Mbb-Mcc = 0 .000000000000 I1: Trace(M) = 0 .000000000000 I2: Maa = 0 .000000000000 I2: Mbb-Mcc = 0 -.003890000000 I2: Trace(M) = 0 .000000000000 Daa = 0 .000000000000 Dbb-Dcc = 0 .000000000000 Dba = 0 .000000000000 mu.a = 1 2.0662 mu.b = 1 0.9676 mu.c = 0 .0 d = 0 26.887 k = 0 -0.00000022 3 0 3 2 0 2 9 1 7 1 10861.6912 0. 1 3 0 3 2 0 2 9 5 7 5 10861.7303 2042.3 1 3 0 3 2 0 2 9 5 7 5 10861.8634 4361.8 1 3 0 3 2 0 2 9 5 7 5 10862.056 6283.4 1 3 0 3 2 0 2 9 5 7 5 10862.2736 7855.0 1 3 0 3 2 0 2 9 1 7 1 10861.2514 7855.0 1 3 0 3 2 0 2 9 1 7 1 10861.1409 8894.6 1 3 0 3 2 0 2 9 5 7 5 10862.4494 8894.6 1 3 0 3 2 0 2 9 5 7 5 10862.6792 10030.7 1 3 0 3 2 0 2 9 1 7 1 10861.0210 10030.7 1 4 1 4 3 1 3 11 1 9 1 13635.2597 0.0 1 4 1 4 3 1 3 11 1 9 1 13635.2427 4498.8 1 4 1 4 3 1 3 11 3 9 3 13635.3126 4498.8 1 4 1 4 3 1 3 11 5 9 5 13635.4418 4498.8 1 4 1 4 3 1 3 11 7 9 7 13635.6445 4498.8 1 4 1 4 3 1 3 11 3 9 3 13635.3645 6329.4 1 4 1 4 3 1 3 11 5 9 5 13635.6322 6329.4 1 4 1 4 3 1 3 11 7 9 7 13636.0247 6329.4 1 4 1 4 3 1 3 11 3 9 3 13635.4168 7703.5 1 4 1 4 3 1 3 11 5 9 5 13635.8143 7703.5 1 4 1 4 3 1 3 11 3 9 3 13635.4742 8893.4 1 4 1 4 3 1 3 11 5 9 5 13636.0110 8893.4 1 4 1 4 3 1 3 11 3 9 3 13635.5310 10033.1 1 4 1 4 3 1 3 11 5 9 5 13636.2117 10033.1 1