SO singulet Delta Sun Jul 18 17:56:03 1999 ID= 48504 QSPINROT= 295.6578 MIN, MAX QN= 0 99 MIN.LOG.STR= -21.000 MIN.LOG.STR(FRQ/300GHZ)**2= -17.000 MAX FREQ 10000.0 GHZ, TEMP= 300.00 1 1 1.336 2 111 1.336 .VAR FILE TITLE :SO 10:Sun Jul 18 17:55:53 1999 PARAMETERS - A.PRIORI ERROR 1 1 100 2.1295685826006E+04 1.625445E-03 2 2 200 -3.5040519807303E-02 5.670363E-06 3 3 111 2.1114455458327E+04 1.522955E-03 4 4 211 -3.5114525641747E-02 5.103929E-06 5 5 399 -1.1736254629703E-08 5.931121E-09 6 6 11 3.3018967444494E+07 2.997924E+00 7 7 99 -1.2777285349479E+05 9.576780E-03 7 parameters read, 7 independent parameters NO DIAGONALIZATION NEEDED PROLATE ROTOR V KMIN KMAX ESYMWT SPINS 0 0 0 -1 1 0 0 -1 BLOCK - WT - SYM - V - TSP - N - other quanta (rel. to F=0 ) 1 1 0 0 0 2 1 3 0 0 3 1 0 1 0 4 1 3 1 0 Maximum Dimension for Hamiltonian = 1 INITIAL Q = 295.6578, NEW Q IS RELATIVE TO MIN.EGY.= -4.2620 NUMBER OF LINES = 198 TEMPERATURE - Q(SPIN-ROT.) - log Q(SPIN-ROT.) 300.000 295.6578 2.4708 225.000 220.8372 2.3441 150.000 147.1748 2.1678 75.000 73.7351 1.8677 37.500 37.0311 1.5686 18.750 18.6839 1.2715 9.375 9.5139 0.9784