trans 2 Epoxybutan Ir, Splittings, nur erlaubte Uebergaenge ground state ntop 2 ncyc 10 conv 0.99999 BJ 3.247660863 BK 8.989780345 B- .175343209 DJ .000000603 DJK -.000001513 DK .000034096 dj .000000082 dk .000000971 V1n 25877.862016674 25877.862016674 F0 159.725580499 159.725580377 ! 1 / I_tau eps 1.057391091 -1.057391091 delta .401247979 2.740344672 \ fit BJ \ fit BK \ fit B- \ fit DJ \ fit DJK \ fit DK \ fit dj \ fit dk dqu V1n 1.0 V1n 1.0 dqu F0 1.0 F0 1.0 dqu eps 1.0 eps -1.0 dqu delta 1.0 delta -1.0 G 0 0 G 1 0 G 1 1 G 1 -1 V 0 0 B 1\ J 1 K- 1 K+ 0 J 1 K- 0 K+ 1 V 1 \ S 1 = 9.1650636 Err 100.0 S 2 = 9.1650089 # -1 S 3 = 9.1649609 # -2 S 4 = 9.1649609 # -3 J 1 K- 1 K+ 1 J 0 K- 0 K+ 0 V 1 \ S 1 = 15.3098924 Err 100.0 S 2 = 15.3098411 # -1 S 3 = 15.3097933 # -2 S 4 = 15.3097933 # -3 J 2 K- 1 K+ 1 J 2 K- 0 K+ 2 V 1 \ S 1 = 9.5257925 Err 100.0 S 2 = 9.5257456 # -1 S 3 = 9.5256921 # -2 S 4 = 9.5256921 # -3 J 3 K- 1 K+ 2 J 3 K- 0 K+ 3 V 1 \ S 1 = 10.0859405 Err 100.0 S 2 = 10.0858907 # -1 S 3 = 10.0858417 # -2 S 4 = 10.0858417 # -3 J 2 K- 2 K+ 0 J 3 K- 1 K+ 3 V 1 \ S 1 = 8.5511437 Err 100.0 S 2 = 8.5510387 # -1 S 3 = 8.5508455 # -2 S 4 = 8.5510769 # -3 J 3 K- 0 K+ 3 J 2 K- 1 K+ 2 V 1 \ S 1 = 10.9706279 Err 100.0 S 2 = 10.9706827 # -1 S 3 = 10.9707358 # -2 S 4 = 10.9707358 # -3 J 4 K- 1 K+ 3 J 4 K- 0 K+ 4 V 1 \ S 1 = 10.8677606 Err 100.0 S 2 = 10.8677122 # -1 S 3 = 10.8676639 # -2 S 4 = 10.8676639 # -3 J 5 K- 1 K+ 4 J 5 K- 0 K+ 5 V 1 \ S 1 = 11.89941217 Err 100.0 S 2 = 11.89936705 # -1 S 3 = 11.89932045 # -2 S 4 = 11.89932045 # -3 J 5 K- 1 K+ 4 J 4 K- 2 K+ 3 V 1 \ S 1 = 8.069354956 Err 100.0 S 2 = 8.069506296 # -1 S 3 = 8.069659290 # -2 S 4 = 8.069659290 # -3 J 4 K- 3 K+ 2 J 5 K- 2 K+ 3 V 1 \ S 1 = 12.172421295 Err 100.0 S 2 = 12.171513508 # -1 S 3 = 12.171928652 # -2 S 4 = 12.170204757 # -3 J 4 K- 3 K+ 1 J 5 K- 2 K+ 4 V 1 \ S 1 = 12529.0823 MHz Err 100.0 S 2 = 12529.4962 MHz # -1 S 3 = 12528.5987 MHz # -2 S 4 = 12530.3311 MHz # -3 J 6 K- 1 K+ 5 J 6 K- 0 K+ 6 V 1 \ S 1 = 13212.770767 MHz Err 100.0 S 2 = 13212.726504 MHz # -1 S 3 = 13212.683842 MHz # -2 S 4 = 13212.683842 MHz # -3 J 7 K- 1 K+ 7 J 6 K- 2 K+ 4 V 1 \ S 1 = 12693.995453 MHz Err 100.0 S 2 = 12694.128553 MHz # -1 S 3 = 12694.262201 MHz # -2 S 4 = 12694.262201 MHz # -3 J 7 K- 4 K+ 3 J 8 K- 3 K+ 6 V 1 \ S 1 = 10793.9725 MHz Err 100.0 S 2 = 10794.9245 MHz # -1 S 3 = 10793.3160 MHz # -2 S 4 = 10796.1146 MHz # -3 J 7 K- 4 K+ 4 J 8 K- 3 K+ 5 V 1 \ S 1 = 10707.8212 MHz Err 100.0 S 2 = 10706.2068 MHz # -1 S 3 = 10707.1587 MHz # -2 S 4 = 10704.3557 MHz # -3 J 8 K- 2 K+ 6 J 7 K- 3 K+ 5 V 1 \ S 1 = 8594.046290 MHz Err 100.0 S 2 = 8594.328968 MHz # -1 S 3 = 8594.544500 MHz # -2 S 4 = 8594.678137 MHz # -3 J 9 K- 2 K+ 8 J 8 K- 3 K+ 5 V 1 \ S 1 = 12673.533756 MHz Err 100.0 S 2 = 12673.751777 MHz # -1 S 3 = 12674.001057 MHz # -2 S 4 = 12673.940716 MHz # -3 J 2 K- 1 K+ 2 J 1 K- 0 K+ 1 V 1 \ S 1 = 21454.7267 MHz Err 100.0 S 2 = 21454.6760 MHz # -1 S 3 = 21454.6249 MHz # -2 S 4 = 21454.6249 MHz # -3 J 2 K- 2 K+ 0 J 2 K- 1 K+ 1 V 1 \ S 1 = 26453.5779 MHz Err 100.0 S 2 = 26453.4882 MHz # -1 S 3 = 26453.2815 MHz # -2 S 4 = 26453.5098 MHz # -3 J 3 K- 3 K+ 0 J 4 K- 2 K+ 3 V 1 \ S 1 = 18980.3938 MHz Err 100.0 S 2 = 18981.2207 MHz # -1 S 3 = 18979.9108 MHz # -2 J 4 K- 2 K+ 2 J 4 K- 1 K+ 3 V 1 \ S 1 = 25389.4074 MHz Err 100.0 S 2 = 25389.2681 MHz # -1 S 3 = 25389.1273 MHz # -2 S 4 = 25389.1273 MHz # -3 J 5 K- 2 K+ 3 J 5 K- 1 K+ 4 V 1 \ S 1 = 24739.6106 MHz Err 100.0 S 2 = 24739.4637 MHz # -1 S 3 = 24739.3185 MHz # -2 S 4 = 24739.3185 MHz # -3 J 5 K- 0 K+ 5 J 4 K- 1 K+ 4 V 1 \ S 1 = 24909.7300 MHz Err 100.0 S 2 = 24909.7763 MHz # -1 S 3 = 24909.8262 MHz # -2 S 4 = 24909.8262 MHz # -3 J 6 K- 2 K+ 4 J 6 K- 1 K+ 5 V 1 \ S 1 = 24078.6431 MHz Err 100.0 S 2 = 24078.5020 MHz # -1 S 3 = 24078.3599 MHz # -2 S 4 = 24078.3599 MHz # -3 J 7 K- 2 K+ 5 J 7 K- 1 K+ 6 V 1 \ S 1 = 23465.6883 MHz Err 100.0 S 2 = 23465.5464 MHz # -1 S 3 = 23465.4037 MHz # -2 S 4 = 23465.4037 MHz # -3 J 7 K- 1 K+ 6 J 6 K- 2 K+ 5 V 1 \ S 1 = 23172.4197 MHz Err 100.0 S 2 = 23172.5636 MHz # -1 S 3 = 23172.7115 MHz # -2 S 4 = 23172.7115 MHz # -3 J 8 K- 2 K+ 6 J 8 K- 1 K+ 7 V 1 \ S 1 = 22962.6532 MHz Err 100.0 S 2 = 22962.5170 MHz # -1 S 3 = 22962.3821 MHz # -2 S 4 = 22962.3821 MHz # -3 J 11 K- 3 K+ 9 J 10 K- 4 K+ 6 V 1 \ S 1 = 8869.091743 MHz Err 100.0 S 2 = 8869.168881 MHz # -1 S 3 = 8869.749243 MHz # -2 S 4 = 8868.8088 MHz # -3 J 10 K- 5 K+ 6 J 11 K- 4 K+ 7 V 1 \ S 1 = 9130.2955 MHz Err 100.0 S 2 = 9128.0358 MHz # -1 S 3 = 9129.4702 MHz # -2 S 4 = 9125.4855 MHz # -3 J 10 K- 5 K+ 5 J 11 K- 4 K+ 8 V 1 \ S 1 = 9148.4780 MHz Err 100.0 S 2 = 9149.9139 MHz # -1 S 3 = 9147.6546 MHz # -2 J 11 K- 3 K+ 8 J 10 K- 4 K+ 7 V 1 \ S 1 = 9421.272994 MHz Err 100.0 S 2 = 9421.860368 MHz # -1 S 3 = 9421.943318 MHz # -2 S 4 = 9422.881562 MHz # -3 J 11 K- 1 K+ 10 J 11 K- 0 K+ 11 V 1 \ S 1 = 24866.1531 MHz Err 100.0 S 2 = 24866.1302 MHz # -1 S 3 = 24866.1086 MHz # -2 S 4 = 24866.1086 MHz # -3 J 14 K- 4 K+ 10 J 13 K- 5 K+ 9 V 1 \ S 1 = 10801.0931 MHz Err 100.0 S 2 = 10802.6416 MHz # -1 S 3 = 10801.9210 MHz # -2 S 4 = 10804.7920 MHz # -3 J 14 K- 4 K+ 11 J 13 K- 5 K+ 8 V 1 \ S 1 = 10678.7112 MHz Err 100.0 S 2 = 10677.9863 MHz # -1 S 3 = 10679.5344 MHz # -2 S 4 = 10676.6587 MHz # -3 J 14 K- 2 K+ 12 J 14 K- 1 K+ 13 V 1 \ S 1 = 25246.8938 MHz Err 100.0 S 2 = 25246.8213 MHz # -1 S 3 = 25246.7487 MHz # -2 S 4 = 25246.7487 MHz # -3 J 15 K- 7 K+ 8 J 16 K- 6 K+ 11 V 1 \ S 1 = 12482.8223 MHz Err 100.0 S 3 = 12481.7299 MHz # -1 J 15 K- 7 K+ 9 J 16 K- 6 K+ 10 V 1 \ S 1 = 12482.5009 MHz Err 100.0 S 3 = 12481.4084 MHz # -1 J 16 K- 4 K+ 12 J 15 K- 5 K+ 11 V 1 \ S 1 = 24334.9328 MHz Err 100.0 S 2 = 24335.7665 MHz # -1 S 3 = 24335.7665 MHz # -2 S 4 = 24337.2475 MHz # -3