ASFIT version 4.IV.2002 _______________________________________________________________________________ Camphor, 13C8 _______________________________________________________________________________ Fit of Watson's Hamiltonian --> reduction-A, representation-I.r : A = 1429.7548698307261929585 +- 0.0032398508677119577 B = 1173.9162756425866973586 +- 0.0001842947463000278 C = 1092.4525408723291093338 +- 0.0001032828178146779 DJ = 0.0000334914679952345 DJK = 0.0000836263097831215 DK = -0.0000656076906905046 dJ = 0.0000028691560645696 dK = 0.0000249019216237808 Deviation of fit = 0.000863 Weighted deviation of fit = 0.431729 ------------------------------------------------------------------------------- TRANSITION Observed Obs-Calc Error ------------------------------------------------------------------------------- ! 1. 4 1 4 3 1 3 8874.9098 -0.0011 0.0020 2. 4 0 4 3 0 3 8929.5507 -0.0001 0.0020 3. 4 1 3 3 1 2 9188.2048 0.0006 0.0020 4. 5 1 5 4 1 4 11074.3342 0.0006 0.0020 5. 5 0 5 4 0 4 11108.1823 0.0004 0.0020 6. 5 1 4 4 1 3 11440.3952 -0.0005 0.0020 ------------------------------------------------------------------------------- Sigma = 0.000863 6 Transitions in fit Sigma.w = 0.431729 3 Degrees of freedom A /MHz 1429.7548(32) LJK /mHz 0.0 B /MHz 1173.91627(18) LKKJ/mHz 0.0 C /MHz 1092.45254(10) LK /mHz 0.0 DJ /kHz 0.0334914679952345 lJ /mHz 0.0 DJK /kHz 0.0836263097831216 lJK /mHz 0.0 DK /kHz -0.0656076906905046 lKJ /mHz 0.0 dJ /kHz 0.0028691560645696 lK /mHz 0.0 dK /kHz 0.0249019216237808 PJ /microHz 0.0 HJ / Hz 0.0 PJJK /microHz 0.0 HJK / Hz 0.0 PJK /microHz 0.0 HKJ / Hz 0.0 PKJ /microHz 0.0 HK / Hz 0.0 PKKJ /microHz 0.0 hJ / Hz 0.0 PK /microHz 0.0 hJK / Hz 0.0 pJ /microHz 0.0 hK / Hz 0.0 pJJK /microHz 0.0 LJ /mHz 0.0 pJK /microHz 0.0 LJJK/mHz 0.0 pKKJ /microHz 0.0 pK /microHz 0.0 CORRELATION COEFFICIENTS, C.ij: A B C A 1.0000 B -0.5702 1.0000 C -0.7682 0.1178 1.0000 Mean value of |C.ij|, i.ne.j = 0.4854 Mean value of C.ij, i.ne.j = -0.4069 _______________________________________________________________________________ MOST INFLUENTIAL TRANSITIONS: Observed Obs-Calc hjj >0.500 3. 4 1 3 3 1 2 9188.2048 0.0006 0.6162 6. 5 1 4 4 1 3 11440.3952 -0.0005 0.6109 4. 5 1 5 4 1 4 11074.3342 0.0006 0.5185 5. 5 0 5 4 0 4 11108.1823 0.0004 0.5155 mean of all values = 0.5000 WORST FITTING LINES (line number=(o-c)/error): 1= -0.5 4= 0.3 3= 0.3 6= -0.2 5= 0.2 2= -0.1 _______________________________________________________________________________