ASFIT version 4.IV.2002 _______________________________________________________________________________ Camphor, 13C3 _______________________________________________________________________________ Fit of Watson's Hamiltonian --> reduction-A, representation-I.r : A = 1435.8584529657457551366 +- 0.0008143678943004384 B = 1178.8391295885139697930 +- 0.0000521611881641307 C = 1091.7069653257894970011 +- 0.0000270499228263717 DJ = 0.0000334914679952345 DJK = 0.0000836263097831215 DK = -0.0000656076906905046 dJ = 0.0000028691560645696 dK = 0.0000249019216237808 Deviation of fit = 0.000230 Weighted deviation of fit = 0.115161 ------------------------------------------------------------------------------- TRANSITION Observed Obs-Calc Error ------------------------------------------------------------------------------- ! 1. 4 1 4 3 1 3 8877.0557 -0.0003 0.0020 2. 4 0 4 3 0 3 8931.6100 -0.0001 0.0020 3. 4 1 3 3 1 2 9210.6792 0.0001 0.0020 4. 5 1 5 4 1 4 11075.1096 0.0001 0.0020 5. 5 0 5 4 0 4 11107.6550 0.0002 0.0020 7. 5 1 4 4 1 3 11462.1930 -0.0001 0.0020 ------------------------------------------------------------------------------- Sigma = 0.000230 6 Transitions in fit Sigma.w = 0.115161 3 Degrees of freedom A /MHz 1435.85845(81) LJK /mHz 0.0 B /MHz 1178.839129(52) LKKJ/mHz 0.0 C /MHz 1091.706965(27) 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 -0.6022 1.0000 C -0.7608 0.1416 1.0000 Mean value of |C.ij|, i.ne.j = 0.5015 Mean value of C.ij, i.ne.j = -0.4071 _______________________________________________________________________________ MOST INFLUENTIAL TRANSITIONS: Observed Obs-Calc hjj >0.500 3. 4 1 3 3 1 2 9210.6792 0.0001 0.6419 6. 5 1 4 4 1 3 11462.1930 -0.0001 0.6272 4. 5 1 5 4 1 4 11075.1096 0.0001 0.5070 mean of all values = 0.5000 WORST FITTING LINES (line number=(o-c)/error): 1= -0.1 5= 0.1 3= 0.1 4= 0.1 2= -0.1 6= 0.0 _______________________________________________________________________________