1, 3, !isigma, idelm 10, 9, -1, !ktronc, nvt, IspecF_RHO=0/1 281, 30000, 50, 0, !numpar, numlines, numcategories 0.1E-04, 5.5d+2 !stopping criteria, bounds for the obs.-calc. at fitting stage ---------------------------------------------------------------------------------------------------------- H=Sum{1/2(J**2k*Jz**n*Jx**p*Jy**q*palfa**r*cos(3s*alfa)*sin(3*t*alfa)+ +sin(3*t*alfa)*cos(3s*alfa)*palfa**r*Jy**q*Jx**p*Jz**n*J**2k)} ---------------------------------------------------------------------------------------------------------- Name k, n, p, q, r, s, t, value[cm-1], stage, float(Y=1/N=0) ---------------------------------------------------------------------------------------------------------- muz , 0, 1, 0, 0, 0, 0, 0, 0.18999999999999999E+01 , 0, 0, mux , 0, 0, 1, 0, 0, 0, 0, 0.13000000000000000E+01 , 0, 0, F , 0, 0, 0, 0, 2, 0, 0, 0.56600000000000001E+01 , 1, 0, RHO , 0, 1, 0, 0, 1, 0, 0, 0.71528697933697732E-01 , 1, 1, 0.5V3 , 0, 0, 0, 0, 0, 0, 0, 0.50449965431387900E+00 , 1, 1, 0.5V3 , 0, 0, 0, 0, 0, 1, 0, -0.10000000000000000E+01 , 1, -1, A-0.5(B+C) , 0, 2, 0, 0, 0, 0, 0, 0.32118942470560136E+00 , 2, 1, 0.5(B+C) , 1, 0, 0, 0, 0, 0, 0, 0.54733977076609569E-01 , 2, 1, 0.5(B-C) , 0, 0, 2, 0, 0, 0, 0, 0.37126526347276358E-02 , 2, 1, 0.5(B-C) , 0, 0, 0, 2, 0, 0, 0, -0.10000000000000000E+01 , 2, -1, DAB , 0, 1, 1, 0, 0, 0, 0, -0.10797167037884783E-02 , 2, 1, -DJ , 2, 0, 0, 0, 0, 0, 0, -0.14669182955842183E-08 , 2, 1, -DJK , 1, 2, 0, 0, 0, 0, 0, -0.37862509983539292E-06 , 2, 1, -DK , 0, 4, 0, 0, 0, 0, 0, -0.88399975431431718E-07 , 2, 1, 2d1 , 1, 0, 2, 0, 0, 0, 0, -0.80102700781869783E-09 , 2, 1, 2d1 , 1, 0, 0, 2, 0, 0, 0, -0.10000000000000000E+01 , 2, -1, 2d2 , 0, 0, 4, 0, 0, 0, 0, -0.10266074809691297E-08 , 2, 1, 2d2 , 0, 0, 0, 4, 0, 0, 0, 0.10000000000000000E+01 , 2, -1, 2d2 , 0, 0, 2, 2, 0, 0, 0, -0.60000000000000000E+01 , 2, -2, 2d2 , 0, 2, 0, 0, 0, 0, 0, -0.50000000000000000E+01 , 2, -3, 2d2 , 1, 0, 0, 0, 0, 0, 0, 0.20000000000000000E+01 , 2, -4, FJ , 1, 0, 0, 0, 2, 0, 0, -0.12427028515132963E-05 , 2, 1, RHOJ , 1, 1, 0, 0, 1, 0, 0, 0.11742822483454712E-05 , 2, 1, RHOK , 0, 3, 0, 0, 1, 0, 0, 0.50201431999803254E-06 , 2, 1, RHObc , 0, 1, 2, 0, 1, 0, 0, -0.24958374782160667E-07 , 2, 1, RHObc , 0, 1, 0, 2, 1, 0, 0, -0.10000000000000000E+01 , 2, -1, &&&END,,,,,,,,,,,,,,,,,,,,,,,,, 19 !Jmax 7 !Number of iterations (negative number means robust weighting fit) 2.0d0, 0.001, 1.d-2, ! Temperature, linestrength cutoff 1, 1, 1, 1, ! V6 mode: stat.weights for A1/A2, B1/B2, E1, E2 species; V3 mode - ignored 2000.d0, 30000.d0, 0, ! lower and upper frequency limits; 0/1 - MHz/cm-1 prediction 0, 20, 0, 2, ! Jlow, Jup, vtlow, vtup 0, 0, !+/-1 Make prediction; 0 do not make predictions; +1 only deltavt=0; -1 deltavt=/=0 also; 0/1-calculate expectation-1 or not 0 --------------------------------------------------------------------------------- meas.freq mut Ju Kau Kcu mlt Jl Kal Kcl ifit weight comments --------------------------------------------------------------------------------- 6340.8524 0 2 1 2 0 1 1 1 1 0.003 6559.9418 0 2 0 2 0 1 0 1 1 0.003 6561.0997 1 2 0 2 1 1 0 1 1 0.003 6565.2043 1 2 2 1 1 1 1 0 1 0.003 6573.9326 1 2 1 1 1 1 1 1 1 0.003 6786.0124 0 2 1 1 0 1 1 0 1 0.003 6910.3851 0 5 0 5 0 4 1 4 1 0.003 7105.7879 1 4 1 4 1 4 0 4 1 0.003 7186.7130 1 3 1 3 1 3 0 3 1 0.003 7202.8926 1 1 1 1 1 2 0 2 1 0.003 7219.0836 1 2 1 2 1 2 0 2 1 0.003 8113.6283 1 7 0 7 1 6 1 5 1 0.003 9233.9214 1 5 0 5 1 4 1 4 1 0.003 9343.3303 1 5 2 4 1 6 1 6 1 0.003 9509.0875 0 3 1 3 0 2 1 2 1 0.003 9800.2359 1 3 1 3 1 2 1 2 1 0.003 9831.0690 0 3 0 3 0 2 0 2 1 0.003 9832.6087 1 3 0 3 1 2 0 2 1 0.003 9844.9437 0 3 2 2 0 2 2 1 1 0.003 9847.5916 1 3 3 1 1 2 2 0 1 0.003 9850.2298 1 3 2 1 1 2 2 1 1 0.003 9859.0920 0 3 2 1 0 2 2 0 1 0.003 9886.8795 1 3 1 2 1 2 1 1 1 0.003 10176.7905 0 3 1 2 0 2 1 1 1 0.003 10482.2864 1 0 0 0 1 1 0 1 1 0.003 10608.3100 0 1 1 0 0 1 0 1 1 0.003 10640.8850 0 6 0 6 0 5 1 5 1 0.003 10753.1058 1 6 2 4 1 7 1 6 1 0.003 10834.3811 0 2 1 1 0 2 0 2 1 0.003 11180.0999 0 3 1 2 0 3 0 3 1 0.003 11653.3203 0 4 1 3 0 4 0 4 1 0.003 11949.5423 0 6 2 4 0 7 1 7 1 0.003 12226.4867 1 4 2 3 1 5 1 5 1 0.003 12264.3119 0 5 1 4 0 5 0 5 1 0.003 12616.8699 1 6 0 6 1 5 1 5 1 0.003 12674.7348 0 4 1 4 0 3 1 3 1 0.003 13012.3943 1 4 1 4 1 3 1 3 1 0.003 13025.4988 0 6 1 5 0 6 0 6 1 0.003 13091.6135 0 4 0 4 0 3 0 3 1 0.003 13093.3098 1 4 0 4 1 3 0 3 1 0.003 13123.8457 0 4 2 3 0 3 2 2 1 0.003 13131.9711 1 4 3 1 1 3 3 1 1 0.003 13133.1103 0 4 3 2 0 3 3 1 1 0.003 13133.3146 0 4 3 1 0 3 3 0 1 0.003 13138.1893 1 4 2 2 1 3 2 1 1 0.003 13143.4340 1 4 2 3 1 3 2 2 1 0.003 13159.1767 0 4 2 2 0 3 2 1 1 0.003 13228.7129 1 4 1 3 1 3 1 2 1 0.003 13435.0086 0 4 2 3 0 5 1 4 1 0.003 13564.8359 0 4 1 3 0 3 1 2 1 0.003 13667.4675 0 1 1 1 0 0 0 0 1 0.003 13763.9889 1 1 1 1 1 1 0 1 1 0.003 13776.8283 1 2 1 1 1 2 0 2 1 0.003 13780.1758 1 2 1 2 1 1 0 1 1 0.003 13831.0971 1 3 1 2 1 3 0 3 1 0.003 13950.9915 0 7 1 6 0 7 0 7 1 0.003 13966.4984 1 4 1 3 1 4 0 4 1 0.003 14229.1502 1 5 1 4 1 5 0 5 1 0.003 15055.9047 0 8 1 7 0 8 0 8 1 0.003 15303.2128 1 7 1 6 1 7 0 7 1 0.003 15837.0079 0 5 1 5 0 4 1 4 1 0.003 16070.4574 1 7 0 7 1 6 1 6 1 0.003 16172.0404 1 8 1 7 1 8 0 8 1 0.003 16185.5570 1 5 1 5 1 4 1 4 1 0.003 16338.1676 0 5 0 5 0 4 0 4 1 0.003 16339.7029 1 5 0 5 1 4 0 4 1 0.003 16355.3805 0 9 1 8 0 9 0 9 1 0.003 16400.3778 0 5 2 4 0 4 2 3 1 0.003 16413.4893 1 5 4 1 1 4 4 1 1 0.003 16414.7351 0 5 4 1 0 4 4 0 1 0.003 16414.7351 0 5 4 2 0 4 4 1 1 0.003 16417.9182 1 5 3 2 1 4 3 1 1 0.003 16419.4643 0 5 3 3 0 4 3 2 1 0.003 16420.2063 0 5 3 2 0 4 3 1 1 0.003 16420.7266 1 5 3 3 1 4 3 2 1 0.003 16430.0970 1 5 2 3 1 4 2 2 1 0.003 16440.0642 1 5 2 4 1 4 2 3 1 0.003 16470.8762 0 5 2 3 0 4 2 2 1 0.003 16602.3517 1 5 1 4 1 4 1 3 1 0.003 16726.5805 0 2 1 2 0 1 0 1 1 0.003 16825.7194 0 4 2 2 0 5 1 5 1 0.003 16949.1583 0 5 1 4 0 4 1 3 1 0.003 17019.3180 1 3 1 3 1 2 0 2 1 0.003 17260.3261 0 3 2 2 0 4 1 3 1 0.003 17283.0273 1 9 1 8 1 9 0 9 1 0.003 17863.4037 0 10 1 9 0 10 0 10 1 0.003 18015.2853 1 4 2 2 1 5 1 4 1 0.003 18237.5500 0 8 0 8 0 7 1 7 1 0.003 18643.7835 1 10 1 9 1 10 0 10 1 0.003