2-Methylthiazol, global int. rot. Fit with hfs splittings spin 2 ! double nuclear spin int 0 ntop 1 freq_l 0.4 freq_h 20 limit 0.00001 ncyc 100 ro 0.0 \eval 1 ! output of eigenvalues in file 'eval.out' print 4 dfreq 0 apri 65 xpri 16 BJ 2.659116179 BK 2.682994459 B- .606817741 V1n 1035.209132 F0 157.674631311 delta .077659012 chi_z 0.000525936 chi_- -0.005305418 chi_xz -0.002284434 fit BJ fit BK fit B- fit chi_z fit chi_- fit chi_xz dqu F0 dqu delta dqu V1n /A S 0 /E S 1 V 0 ! B 1 1 1 1 0 0 0 S 1 \ F 4 2 = 7.5427834 B 1 F 2 2 = 7.5419040 # -1 F 0 2 = 7.5440997 # -2 F -1 2 1 2 1 0 1 S 1 \ F 6 4 = 11.6474825 B 1 F 4 2 = 11.6465531 # -1 F 2 0 = 11.6481529 # -2 F 4 4 = 11.6467169 # -3 F 2 2 = 11.6477489 # -4 S 2 \ F 6 4 = 11.6044991 B 1 F 4 2 = 11.6040784 # -1 F 2 0 = 11.6045324 # -2 F 4 4 = 11.6038700 # -3 F 2 2 = 11.6050542 # -4 2 2 1 2 1 2 S 1 \ F 6 6 = 10.3136038 B 1 F 4 4 = 10.3141967 # -1 F 2 2 = 10.3132705 # -2 F 4 6 = 10.3134289 # -3 F 2 4 = 10.3144648 # -4 F 6 4 = 10.3143762 # -5 S 2 \ F 6 6 = 11.8356505 B 1 F 4 4 = 11.8366169 # -1 F 2 2 = 11.8351123 # -2 F 4 6 = 11.8359872 # -3 F 2 4 = 11.8360890 # -4 F 6 4 = 11.8362780 # -5 2 0 2 1 1 1 S 1 \ F 6 4 = 8.0351156 B 1 F 4 2 = 8.0358287 # -1 F 2 0 = 8.0339144 # -2 F 4 4 = 8.0349466 # -3 F 2 2 = 8.0361259 # -4 3 1 2 3 0 3 S 1 \ F 8 8 = 7.8833310 B 1 F 6 6 = 7.8847680 # -1 F 4 4 = 7.8828427 # -2 3 2 2 3 1 3 S 1 \ F 8 8 = 12.3428608 B 1 F 6 6 = 12.3437091 # -1 F 4 4 = 12.3425662 # -2 S 2 \ F 8 8 = 10.3098477 B 1 F 6 6 = 10.3107017 # -1 F 4 4 = 10.3095459 # -2 3 2 1 3 1 2 S 2 \ F 8 8 = 7.6595894 B 1 F 6 6 = 7.6595391 # -1 F 4 4 = 7.6596082 # -2 4 2 2 4 1 3 S 1 \ F 10 10 = 7.7083944 B 1 F 8 8 = 7.7087831 # -1 F 6 6 = 7.7082929 # -2 S 2 \ F 10 10 = 7.9087299 B 1 F 8 8 = 7.9091691 # -1 F 6 6 = 7.9086165 # -2 4 3 1 4 2 2 S 1 \ F 10 10 = 11.4657377 B 1 F 8 8 = 11.4650951 # -1 F 6 6 = 11.4659062 # -2 S 2 \ F 10 10 = 12.8395440 B 1 F 8 8 = 12.8390874 # -1 F 6 6 = 12.8396540 # -2 4 1 3 4 0 4 S 1 \ F 10 10 = 11.9027841 B 1 F 8 8 = 11.9042654 # -1 F 6 6 = 11.9024006 # -2 S 2 \ F 10 10 = 11.2543964 B 1 F 8 8 = 11.2557180 # -1 F 6 6 = 11.2540494 # -2