ASFIT version 4.IV.2002 _______________________________________________________________________________ Camphor , 13C7 _______________________________________________________________________________ Fit of Watson's Hamiltonian --> reduction-A, representation-I.r : A = 1445.8532180125041577412 +- 0.0032120547575131418 B = 1180.4659061677339195739 +- 0.0001467535401277558 C = 1094.8112061933666154800 +- 0.0001459069396402886 DJ = 0.0000334914679952345 DJK = 0.0000836263097831215 DK = -0.0000656076906905046 dJ = 0.0000028691560645696 dK = 0.0000249019216237808 Deviation of fit = 0.001341 Weighted deviation of fit = 0.670370 ------------------------------------------------------------------------------- TRANSITION Observed Obs-Calc Error ------------------------------------------------------------------------------- ! 1. 4 1 4 3 1 3 8900.4646 -0.0018 0.0020 2. 4 0 4 3 0 3 8957.0875 0.0012 0.0020 3. 4 1 3 3 1 2 9229.5774 0.0008 0.0020 4. 5 1 5 4 1 4 11105.1653 0.0011 0.0020 5. 5 0 5 4 0 4 11139.9575 -0.0004 0.0020 6. 5 1 4 4 1 3 11489.1410 -0.0009 0.0020 7. 5 2 3 4 2 2 11571.8250 0.0001 0.0020 ------------------------------------------------------------------------------- Sigma = 0.001341 7 Transitions in fit Sigma.w = 0.670370 4 Degrees of freedom A /MHz 1445.8532(32) LJK /mHz 0.0 B /MHz 1180.46590(14) LKKJ/mHz 0.0 C /MHz 1094.81120(14) 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 0.2455 1.0000 C -0.7721 -0.4930 1.0000 Mean value of |C.ij|, i.ne.j = 0.5035 Mean value of C.ij, i.ne.j = -0.3399 _______________________________________________________________________________ MOST INFLUENTIAL TRANSITIONS: Observed Obs-Calc hjj >0.500 7. 5 2 3 4 2 2 11571.8250 0.0001 0.8512 6. 5 1 4 4 1 3 11489.1410 -0.0009 0.6136 mean of all values = 0.4286 WORST FITTING LINES (line number=(o-c)/error): 1= -0.9 2= 0.6 4= 0.5 6= -0.4 3= 0.4 5= -0.2 _______________________________________________________________________________