isoxazole, McGlone+Bauder, JCP 109,5383(1998) ----------------------------------------- Fit frequencies(1) or differences(2) = 1 spin of nucleus 1 (units of 1/2) = 2 spin of nucleus 2 (units of 1/2) = 0 Number of iterations (<1=prediction) = 5 Excess in F and J over value in data = 1 Dump options (0,1,2,3) = 0 Freq. contributions options (0,1,2) = 0 Number of transitions = 94 ----------------------------------------- A = 0 9786.2821 B = 0 9575.0849 C = 0 4836.9456 DJ = 0 .00 DJK = 0 -.000954 DK = 0 .002297 dJ = 0 .0008600 dK = 0 .001471 HJ = 0 .000000000000 HJK = 0 .000000000000 HKJ = 0 .000000000000 HK = 0 .000000000000 hJ = 0 .000000000000 hJK = 0 .000000000000 hK = 0 .000000000000 LKKJ = 0 .000000000000 I1: X.aa = 1 0.49232 I1: Xbb-Xcc = 1 -0.5078 I1: Xab = 0 5.35 I1: XJ.aa = 0 0.000000000000 I1: XK.aa = 0 0.000000000000 I1: XJ.b-c = 0 .000000000000 I1: Maa = 0 .000000000000 I1: Mbb-Mcc = 0 .000000000000 I1: Trace(M) = 0 .000000000000 I1: X.d = 0 .000000000000 --not used-- = 0 .000000000000 --not used-- = 0 .000000000000 --not used-- = 0 .000000000000 --not used-- = 0 .000000000000 --not used-- = 0 .000000000000 mu.a = 1 2.02789 mu.b = 1 2.17101 mu.c = 0 .0 d = 0 1.000 k = 0 0.0 1 0 1 0 0 0 4 0 2 0 14412.003 0. 1 1 0 1 0 0 0 4 0 2 0 14412.227 69.5 1 1 0 1 0 0 0 4 0 2 0 14412.361 86.9 1 1 0 1 0 0 0 4 0 2 0 14412.539 104.2 1 1 0 1 0 0 0 4 0 2 0 14412.744 121.6 1 1 0 1 0 0 0 4 0 2 0 14412.990 139.0 1 1 0 1 0 0 0 4 0 2 0 14413.264 156.3 1 1 0 1 0 0 0 4 0 2 0 14413.580 173.7 1 1 0 1 0 0 0 4 0 2 0 14413.930 191.1 1 1 0 1 0 0 0 4 0 2 0 14414.310 208.4 1 1 0 1 0 0 0 4 0 2 0 14414.714 225.8 1 1 0 1 0 0 0 4 0 2 0 14415.171 243.2 1 1 0 1 0 0 0 4 0 2 0 14415.651 260.6 1 1 0 1 0 0 0 4 0 2 0 14416.161 277.9 1 1 0 1 0 0 0 4 0 2 0 14416.702 295.3 1 1 0 1 0 0 0 4 0 2 0 14417.290 312.7 1 1 0 1 0 0 0 4 0 2 0 14417.883 330.0 1 1 0 1 0 0 0 4 0 2 0 14418.522 347.4 1 1 0 1 0 0 0 4 0 2 0 14419.193 364.8 1 1 0 1 0 0 0 4 0 2 0 14419.900 382.1 1 1 0 1 0 0 0 4 0 2 0 14420.634 399.5 1 1 0 1 0 0 0 4 0 2 0 14421.406 416.9 1 1 0 1 0 0 0 2 2 2 2 14412.134 0. 1 1 0 1 0 0 0 2 2 2 2 14412.373 69.5 1 1 0 1 0 0 0 2 2 2 2 14412.510 86.9 1 1 0 1 0 0 0 2 2 2 2 14412.695 104.2 1 1 0 1 0 0 0 2 2 2 2 14412.902 121.6 1 1 0 1 0 0 0 2 2 2 2 14413.156 139.0 1 1 0 1 0 0 0 2 2 2 2 14413.432 156.3 1 1 0 1 0 0 0 2 2 2 2 14413.756 173.7 1 1 0 1 0 0 0 2 2 2 2 14414.092 191.1 1 1 0 1 0 0 0 2 2 2 2 14414.476 208.4 1 1 0 1 0 0 0 2 2 2 2 14414.897 225.8 1 1 0 1 0 0 0 2 2 2 2 14415.346 243.2 1 1 0 1 0 0 0 2 2 2 2 14415.826 260.6 1 1 0 1 0 0 0 2 2 2 2 14416.346 277.9 1 1 0 1 0 0 0 2 2 2 2 14416.887 295.3 1 1 0 1 0 0 0 2 2 2 2 14417.466 312.7 1 1 0 1 0 0 0 2 2 2 2 14418.078 330.0 1 1 0 1 0 0 0 2 2 2 2 14418.729 347.4 1 1 0 1 0 0 0 2 2 2 2 14419.406 364.8 1 1 0 1 0 0 0 2 2 2 2 14420.127 382.1 1 1 0 1 0 0 0 2 2 2 2 14420.866 399.5 1 1 0 1 0 0 0 2 2 2 2 14421.647 416.9 0 1 1 1 0 0 0 0 0 2 0 14623.524 0. 1 1 1 1 0 0 0 0 0 2 0 14623.695 69.5 1 1 1 1 0 0 0 0 0 2 0 14623.827 86.9 1 1 1 1 0 0 0 0 0 2 0 14624.017 104.2 0 1 1 1 0 0 0 0 0 2 0 14624.230 121.6 0 1 1 1 0 0 0 0 0 2 0 14624.498 139.0 0 1 1 1 0 0 0 4 0 2 0 14623.524 0. 0 1 1 1 0 0 0 4 0 2 0 14623.695 69.5 0 1 1 1 0 0 0 4 0 2 0 14623.827 86.9 0 1 1 1 0 0 0 4 0 2 0 14624.017 104.2 0 1 1 1 0 0 0 4 0 2 0 14624.230 121.6 1 1 1 1 0 0 0 4 0 2 0 14624.498 139.0 1 1 1 1 0 0 0 4 0 2 0 14624.790 156.3 1 1 1 1 0 0 0 4 0 2 0 14625.127 173.7 1 1 1 1 0 0 0 4 0 2 0 14625.489 191.1 1 1 1 1 0 0 0 4 0 2 0 14625.896 208.4 1 1 1 1 0 0 0 4 0 2 0 14626.337 225.8 1 1 1 1 0 0 0 4 0 2 0 14626.806 243.2 1 1 1 1 0 0 0 4 0 2 0 14627.328 260.6 1 1 1 1 0 0 0 4 0 2 0 14627.884 277.9 1 1 1 1 0 0 0 4 0 2 0 14628.469 295.3 1 1 1 1 0 0 0 4 0 2 0 14629.083 312.7 1 1 1 1 0 0 0 4 0 2 0 14629.750 330.0 1 1 1 1 0 0 0 4 0 2 0 14630.442 347.4 1 1 1 1 0 0 0 4 0 2 0 14631.181 364.8 1 1 1 1 0 0 0 4 0 2 0 14631.940 382.1 1 1 1 1 0 0 0 4 0 2 0 14632.756 399.5 1 1 1 1 0 0 0 4 0 2 0 14633.606 416.9 1 1 1 1 0 0 0 4 2 2 2 14623.266 0. 1 1 1 1 0 0 0 4 2 2 2 14623.500 69.5 1 1 1 1 0 0 0 4 2 2 2 14623.644 86.9 1 1 1 1 0 0 0 4 2 2 2 14623.841 104.2 1 1 1 1 0 0 0 4 2 2 2 14624.056 121.6 1 1 1 1 0 0 0 4 2 2 2 14624.322 139.0 1 1 1 1 0 0 0 4 2 2 2 14624.614 156.3 1 1 1 1 0 0 0 4 2 2 2 14624.951 173.7 1 1 1 1 0 0 0 4 2 2 2 14625.315 191.1 1 1 1 1 0 0 0 4 2 2 2 14625.721 208.4 1 1 1 1 0 0 0 4 2 2 2 14626.159 225.8 1 1 1 1 0 0 0 4 2 2 2 14626.630 243.2 1 1 1 1 0 0 0 4 2 2 2 14627.150 260.6 1 1 1 1 0 0 0 4 2 2 2 14627.699 277.9 1 1 1 1 0 0 0 4 2 2 2 14628.283 295.3 1 1 1 1 0 0 0 4 2 2 2 14628.888 312.7 1 1 1 1 0 0 0 4 2 2 2 14629.552 330.0 1 1 1 1 0 0 0 4 2 2 2 14630.237 347.4 1 1 1 1 0 0 0 4 2 2 2 14630.972 364.8 1 1 1 1 0 0 0 4 2 2 2 14631.725 382.1 1 1 1 1 0 0 0 4 2 2 2 14632.522 399.5 1 1 1 1 0 0 0 4 2 2 2 14633.362 416.9 1 end