HCCCH2OH Quadradic Operators Fri Jun 2 11:35:39 2006 ID= 56010 QSPINROT= 65110.1779 MIN, MAX QN= 0 80 MIN.LOG.STR= -12.000 MIN.LOG.STR(FRQ/300GHZ)**2= -9.000 MAX FREQ 9999.0 GHZ, TEMP= 300.00 1 001 1.037 2 002 -0.147 3 111 1.037 4 112 -0.147 5 013 0.750 .VAR FILE TITLE : P-AL ! 20-FEB Mon DFri Jun 2 11:32:55 2006 PARAMETERS - A.PRIORI ERROR 1 1 10000 3.2527937308939E+04 1.664969E-03 A 2 2 20000 4.7002489273587E+03 1.777231E-04 B 3 3 30000 4.2322169209317E+03 1.809681E-04 C 4 4 200 -2.9039582007667E-03 1.098583E-07 -DJ 5 5 1100 6.1965997101778E-02 2.517159E-06 -DJK 6 6 2000 -1.0074900534628E+00 3.233701E-05 -DK 7 7 300 9.9820369827583E-09 3.079777E-11 HJ 8 8 1200 -2.1774503413344E-07 4.707565E-10 HJJK 9 9 2100 -3.4207976636168E-06 6.302114E-09 HJKK 10 10 3000 9.2560629318412E-05 2.323212E-07 HK 11 11 400 -2.6497011259795E-14 2.766775E-15 D40 12 12 1300 1.7423637845948E-12 5.215382E-14 D41 13 13 2200 -3.3820013799488E-11 1.442068E-12 D42 14 14 3100 4.0169491620242E-10 6.956342E-12 D43 15 15 4000 -7.1824807939855E-09 1.346133E-09 LK 16 16 3200 -2.5115851127998E-14 1.585618E-15 D53 17 17 40100 -7.0695786538255E-04 3.428227E-08 -delJ 18 18 40200 4.3263053909076E-09 1.209464E-11 phiJJ 19 19 40300 -2.1365004846358E-14 1.298506E-15 d401 20 20 50000 -4.8853006215519E-05 1.501334E-08 d202 21 21 50100 7.0156475760968E-10 8.084976E-12 d302 22 22 50200 -6.0150946110365E-15 1.088461E-15 d402 23 23 60000 1.1542672766727E-10 3.392977E-13 d303 24 24 11 6.5238941986938E+05 2.085762E-02 E 25 25 10011 3.2647957338954E+04 1.751476E-03 A 26 26 20011 4.6841744119032E+03 1.699537E-04 B 27 27 30011 4.2279085124358E+03 1.720681E-04 C 28 28 211 -2.8111305065374E-03 1.063924E-07 -DJ 29 29 1111 6.2177001425475E-02 3.179635E-06 -DJK 30 30 2011 -1.0177537094048E+00 3.883874E-05 -DK 31 31 311 9.5392668219388E-09 3.062840E-11 HJ 32 32 1211 -1.9888661708967E-07 5.053147E-10 HJJK 33 33 2111 -3.1476049564942E-06 7.839896E-09 HJKK 34 34 3011 9.2923452525850E-05 3.233472E-07 HK 35 35 411 -2.5686128659430E-14 2.822946E-15 D40 36 36 1311 1.1750423725711E-12 5.843886E-14 D41 37 37 2211 -1.9643516454621E-11 1.794903E-12 D42 38 38 3111 2.8563049853954E-10 1.027063E-11 D43 39 39 4011 -7.0689197682138E-09 1.557674E-09 LK 40 40 3211 -1.3079543133741E-14 2.388483E-15 D53 41 41 40111 -6.6344959153945E-04 3.160304E-08 -delJ 42 42 40211 4.0502354531297E-09 1.190123E-11 phiJJ 43 43 40311 -2.0766395811249E-14 1.360007E-15 d401 44 44 50011 -4.1112395366394E-05 9.782704E-09 d202 45 45 50111 6.1134216444689E-10 5.755319E-12 d302 46 46 50211 -6.9994774805968E-15 8.025871E-16 d402 47 47 60011 8.9720757119900E-11 2.789517E-13 d303 48 48 410001 3.6010892566747E+01 1.128748E-02 49 49 410101 1.6002627913114E-04 8.680823E-08 50 50 411001 -6.2614490618967E-03 7.792692E-05 51 51 420001 3.4704464453841E-05 1.229209E-05 52 52 421001 -8.8926873263351E-06 5.942731E-08 53 53 210001 2.3400866906273E+00 3.654654E-04 54 54 211001 5.8020018601913E-04 8.385736E-06 55 55 210101 5.9586632132521E-05 8.984524E-08 56 56 210201 -2.4516029622332E-10 1.256558E-11 56 parameters read, 56 independent parameters IQNFMT = 1404 ENERGY SORT OF WANG SUB-BLOCKS PROLATE ROTOR V KMIN KMAX WTPL WTMN ESYMWT NSYM SPINS 0 0 80 1 1 99 2 1 0 80 1 1 99 2 BLOCK - WT - SYM - V - TSP - N - other quanta (rel. to F=0 ) 1 1 x 0 0 1 1 c 0 0 1 1 b 1 0 1 1 a 1 0 2 1 b 0 0 2 1 a 0 0 2 1 x 1 0 2 1 c 1 0 Maximum Dimension for Hamiltonian = 161 INITIAL Q = 65110.1779, NEW Q IS RELATIVE TO MIN.EGY.= 0.0000 NUMBER OF LINES = 104073 TEMPERATURE - Q(SPIN-ROT.) - log Q(SPIN-ROT.) 300.000 65110.1779 4.8136 225.000 41902.8230 4.6222 150.000 22120.1896 4.3448 75.000 7156.0917 3.8547 37.500 2187.7639 3.3400 18.750 641.9231 2.8075 9.375 198.4420 2.2976