trans-trans n-propanol, ground state ----------------------------------------- Fit frequencies(1) or differences(2) = 1 spin of nucleus 1 (units of 1/2) = 0 spin of nucleus 2 (units of 1/2) = 0 Number of iterations = 3 Excess in F and J over value in data = 2 Dump options (0,1,2) = 0 Freq. contributions options (0,1,2) = 1 Number of transitions = 99 ----------------------------------------- A = 0 26401.4764974393219745252 B = 0 3802.1531789144214599219 C = 0 3549.4583278831873940362 DJ = 0 0.0009788248112188652 DJK = 0 -0.0006577073339374337 DK = 0 0.1512803826900017412 dJ = 0 0.0001254751077300517 dK = 0 -0.0063189912092134490 HJ = 0 -0.0000000273188744555 HJK = 0 0.0000000000000000000 HKJ = 0 -0.0001326856510995219 HK = 0 0.0000000000000000000 hJ = 0 -0.0000000075759732997 hJK = 0 0.0000000000000000000 hK = 0 0.0003362441254898326 LKKJ = 0 0.0 I1: X.aa = 0 0.0 I1: Xbb-Xcc = 0 0.0 I1: Xab = 0 0.0 I2: X.aa = 0 0.0 I2: Xbb-Xcc = 0 0.0 I2: Xab = 0 0.0 I1: Maa = 0 0.0 I1: Mbb-Mcc = 0 0.0 I1: Trace(M) = 0 0.0 I2: Maa = 0 0.0 I2: Mbb-Mcc = 0 0.0 I2: Trace(M) = 0 0.0 Daa = 0 0.0 Dbb-Dcc = 0 0.0 Dba = 0 0.0 mu.a = 1 0.35888 mu.b = 1 1.28207 mu.c = 0 0.0 d = 0 26.950 k = 0 0.0 ! ! 2006 measurements, Ar carrier d=26.950 ! 2022 measurements, Ne carrier d=26.9727 and the actually applied voltages ! have been corrected to d=26.950 by ! V_old = V_new * ( d_old/d_new ) = V_new * 0.999158 ! where 0.999158 = 26.950/26.9727 ! ! Rotational and cd constants are from the ASFIT fit of ! Dreizler+Scappini 1981 data and IFPAN BF-FTMW + WG-FTMW + MMW ! lines (to average frequencies in cases of resolved A,E splitting) ! !------------------------------------------------- ! 101 <- 000 !------------------------------------------------- ! 1 0 1 0 0 0 2 0 0 0 7351.6088 0.0 1 !! V2022 as applied: ! 1 0 1 0 0 0 2 0 0 0 7351.7336 4391.3 1 !! 4395.0 1 0 1 0 0 0 2 0 0 0 7351.8647 6244.8 1 1 0 1 0 0 0 2 0 0 0 7351.9905 7645.7 1 !! 7652.1 1 0 1 0 0 0 2 0 0 0 7352.1148 8777.4 1 1 0 1 0 0 0 2 0 0 0 7352.2622 10005.6 1 !! 10014.0 1 0 1 0 0 0 2 0 0 0 7352.4499 11349.8 1 !! 11359.4 1 0 1 0 0 0 2 0 0 0 7352.6134 12400.3 1 !! 12410.7 ! !------------------------------------------------- ! 202 <- 101 !------------------------------------------------- ! 2 0 2 1 0 1 4 0 2 0 14701.0839 0.0 1 !! V2022 as applied: ! 2 0 2 1 0 1 4 2 2 2 14701.0989 2991.3 1 !! 2993.8 2 0 2 1 0 1 4 2 2 2 14701.1146 4390.5 1 !! 4394.2 2 0 2 1 0 1 4 2 2 2 14701.1451 6232.3 1 !! 6237.5 2 0 2 1 0 1 4 2 2 2 14701.1763 7641.1 1 !! 7647.5 2 0 2 1 0 1 4 2 2 2 14701.2063 8778.3 1 !! 8780.7 2 0 2 1 0 1 4 2 2 2 14701.2436 10003.9 1 !! 10012.3 2 0 2 1 0 1 4 2 2 2 14701.2947 11349.8 1 !! 11359.4 2 0 2 1 0 1 4 2 2 2 14701.3359 12393.4 1 !! 12403.8 ! 2 0 2 1 0 1 4 0 2 0 14701.0358 2994.2 1 2 0 2 1 0 1 4 0 2 0 14700.9835 4395.3 1 2 0 2 1 0 1 4 0 2 0 14700.8866 6239.3 1 2 0 2 1 0 1 4 0 2 0 14700.7871 7641.1 1 !! 7647.5 2 0 2 1 0 1 4 0 2 0 14700.6951 8783.8 1 2 0 2 1 0 1 4 0 2 0 14700.5795 10014.6 1 2 0 2 1 0 1 4 0 2 0 14700.4395 11349.8 1 !! 11359.4 2 0 2 1 0 1 4 0 2 0 14700.3177 12393.4 1 !! 12403.8 ! ! !------------------------------------------------- ! 212 <- 111 !------------------------------------------------- ! 2 1 2 1 1 1 4 0 2 0 14450.4753 0.0 1 !! V2022 as applied: ! 2 1 2 1 1 1 4 0 2 0 14450.9026 1628.4 1 !! 1629.8 2 1 2 1 1 1 4 0 2 0 14451.1319 2027.9 1 !! 2029.6 2 1 2 1 1 1 4 0 2 0 14451.4122 2423.6 1 !! 2425.6 2 1 2 1 1 1 4 0 2 0 14451.6713 2736.4 1 !! 2738.7 2 1 2 1 1 1 4 0 2 0 14451.9374 3030.3 1 !! 3032.9 ! !------------------------------------------------- ! 211 <- 110 !------------------------------------------------- ! 2 1 1 1 1 0 4 0 2 0 14955.9097 0.0 1 ! V as applied: ! 2 1 1 1 1 0 4 0 2 0 14955.9193 2224.7 1 !! 2226.6 2 1 1 1 1 0 4 0 2 0 14955.9265 3045.1 1 !! 3047.7 2 1 1 1 1 0 4 0 2 0 14955.9277 3646.7 1 !! 3649.8 2 1 1 1 1 0 4 0 2 0 14955.9346 4147.8 1 !! 4151.3 2 1 1 1 1 0 4 0 2 0 14955.9330 4546.5 1 !! 4550.3 ! 2 1 1 1 1 0 4 2 2 2 14955.6815 2224.7 1 !! 2226.6 2 1 1 1 1 0 4 2 2 2 14955.4848 3045.1 1 !! 3047.7 2 1 1 1 1 0 4 2 2 2 14955.2963 3646.7 1 !! 3649.8 2 1 1 1 1 0 4 2 2 2 14954.9509 4546.5 1 !! 4550.3 ! end Rotational and cd are from tt_new_avg.asf file of 3.11.2022 with a single state fit of Dreizler,Scappini 1981 data, IFPAN FTMW, and FASSST lines Stark measurements on two Ar carrier gas transitions used MECN12+MEI11 calibrations of O.Dorosh of 9.06.2005: mecn12 d=26.9452(14) sigma 2.9 kHz mei11 26.9556(32) sigma 2.9 -------------------------- AVG 26.950 Stark measurements on two Ne carrier gas transitions used mec21+mei19 calibrations of ZK of 19.10.2022: mecn21 d=26.9735(17) sigma 3.361 mei19 26.9719(33) sigma 3.045 -------------------------- average 26.9727 Correction for different electrode spacing: new voltage V_new for spacing d_new is corrected to V_old corresponding to spacing d_old V_old = V_new * ( d_old/d_new ) = V_new * 0.999158 since for identical field: V_old/d_old = V_new/d_new