ASFIT version 4.IV.2002 _______________________________________________________________________________ Camphor, 13C2 _______________________________________________________________________________ Fit of Watson's Hamiltonian --> reduction-A, representation-I.r : A = 1446.6975500738653863664 +- 0.0028808471758022419 B = 1177.9878878796753269853 +- 0.0001543515982031132 C = 1092.5707916917003785784 +- 0.0000961648610645548 DJ = 0.0000334914679952345 DJK = 0.0000836263097831215 DK = -0.0000656076906905046 dJ = 0.0000028691560645696 dK = 0.0000249019216237808 Deviation of fit = 0.000859 Weighted deviation of fit = 0.429487 ------------------------------------------------------------------------------- TRANSITION Observed Obs-Calc Error ------------------------------------------------------------------------------- ! 1. 4 1 4 3 1 3 8882.4569 -0.0001 0.0020 2. 4 0 4 3 0 3 8939.8532 0.0004 0.0020 3. 4 1 3 3 1 2 9210.9904 -0.0011 0.0020 4. 5 1 5 4 1 4 11082.8447 -0.0001 0.0020 5. 5 0 5 4 0 4 11118.4356 -0.0006 0.0020 6. 5 2 4 4 2 3 11314.4014 0.0010 0.0020 7. 5 1 4 4 1 3 11466.7858 0.0004 0.0020 ------------------------------------------------------------------------------- Sigma = 0.000859 7 Transitions in fit Sigma.w = 0.429487 4 Degrees of freedom A /MHz 1446.6975(28) LJK /mHz 0.0 B /MHz 1177.98788(15) LKKJ/mHz 0.0 C /MHz 1092.570791(96) 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 -0.4343 1.0000 C -0.7294 -0.0923 1.0000 Mean value of |C.ij|, i.ne.j = 0.4186 Mean value of C.ij, i.ne.j = -0.4186 _______________________________________________________________________________ MOST INFLUENTIAL TRANSITIONS: Observed Obs-Calc hjj >0.500 7. 5 1 4 4 1 3 11466.7858 0.0004 0.5975 5. 5 0 5 4 0 4 11118.4356 -0.0006 0.5013 mean of all values = 0.4286 WORST FITTING LINES (line number=(o-c)/error): 3= -0.6 6= 0.5 5= -0.3 2= 0.2 7= 0.2 1= -0.1 4= -0.1 _______________________________________________________________________________