ASFIT version 4.IV.2002 _______________________________________________________________________________ Camphor, 13C9 _______________________________________________________________________________ Fit of Watson's Hamiltonian --> reduction-A, representation-I.r : A = 1445.2040664065152668627 +- 0.0030625972637835851 B = 1168.6652329946657573601 +- 0.0001637177553529536 C = 1083.5545623149364473647 +- 0.0000954560295975554 DJ = 0.0000334914679952345 DJK = 0.0000836263097831215 DK = -0.0000656076906905046 dJ = 0.0000028691560645696 dK = 0.0000249019216237808 Deviation of fit = 0.000791 Weighted deviation of fit = 0.395520 ------------------------------------------------------------------------------- TRANSITION Observed Obs-Calc Error ------------------------------------------------------------------------------- ! 1. 4 1 4 3 1 3 8810.4628 -0.0010 0.0020 2. 4 0 4 3 0 3 8869.6392 -0.0004 0.0020 3. 4 1 3 3 1 2 9138.5086 0.0000 0.0020 4. 5 1 5 4 1 4 10993.2166 0.0009 0.0020 5. 5 0 5 4 0 4 11030.6167 0.0001 0.0020 6. 5 1 4 4 1 3 11377.8924 0.0001 0.0020 ------------------------------------------------------------------------------- Sigma = 0.000791 6 Transitions in fit Sigma.w = 0.395520 3 Degrees of freedom A /MHz 1445.2040(30) LJK /mHz 0.0 B /MHz 1168.66523(16) LKKJ/mHz 0.0 C /MHz 1083.554562(95) 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 -0.5517 1.0000 C -0.7713 0.1028 1.0000 Mean value of |C.ij|, i.ne.j = 0.4753 Mean value of C.ij, i.ne.j = -0.4068 _______________________________________________________________________________ MOST INFLUENTIAL TRANSITIONS: Observed Obs-Calc hjj >0.500 6. 5 1 4 4 1 3 11377.8924 0.0001 0.6032 3. 4 1 3 3 1 2 9138.5086 0.0000 0.6032 5. 5 0 5 4 0 4 11030.6167 0.0001 0.5291 4. 5 1 5 4 1 4 10993.2166 0.0009 0.5242 mean of all values = 0.5000 WORST FITTING LINES (line number=(o-c)/error): 1= -0.5 4= 0.4 2= -0.2 6= 0.1 5= 0.0 3= 0.0 _______________________________________________________________________________