program ERHAM V16g-R3 20 may 2013 *** date and time: 14 jun 2013 14:45:57 ACETONE LOWEST EXCITED STATE (demonstration new features) **** CALCULATION FOR EQUIVALENT MOTIONS **** SYMMETRY PARAMETER (ISCD) -2 DIRECTION COSINE PARAMETER (NC) -1 NUMBER OF VIBRATIONAL STATES (NIV) 1 NUMBER OF ITERATIONS (NIT) 6 PRINT OPTION PARAMETER (IFPR) 4 UNCERTAINTY PARAMETER (NUNC) 1 DIPOLE MOMENT COMPONENTS (DIP) 0.000 2.930 0.000 TEMPERATURE/KELVIN (TEMP) 100.00 VIB STATE READ (KVQ,1=YES,ELSE=NO) 0 PERIODICITY OF INTERNAL ROTOR (N) 3 3 RHO PARAMETER 0.06259270 0.06259270 VARIATION PARAMETER FOR RHO, IVRHO 1 0 RHO AXIS ANGLE, BETA 25.88603866 25.88603866 VARIATION PARAMETER FOR BETA, IVBET 1 0 RHO AXIS ANGLE, ALPHA 0.00000000 0.00000000 VARIATION PARAMETER FOR ALPHA, IVALP 0 0 VIBRATIONAL STATE 1 JMIN 0 JMAX 60 FMIN 5000.0 FMAX 50000.0 INTENSITY CUTOFF 0.02 10177.20508770 8502.84897957 4910.25075253 4.91498967 -3.32910075 9.77527731 2.07864365 -0.51447174 0.10160608 -0.96147541 0.69361461 0.90764474 0.05319162 -0.21795106 -0.44520379 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -1 1 0 0 0 96.55333094 1 0.100D+01 1 0 1 0 0 0 5547.90375542 1 0.100D+04 1 1 1 0 0 0 61.95585134 1 0.100D+01 2 0 1 0 0 0 15.22428305 1 0.100D+01 1 -1 1 0 0 2 -0.05299271 1 0.100D+01 1 -1 1 0 2 0 0.02097488 1 0.100D+01 1 -1 1 2 0 0 0.00639140 1 0.100D+01 1 0 -1 0 0 1 0.00000000 0 0.100D+01 1 0 -1 1 0 0 -0.29022338 1 0.100D+01 1 0 1 0 0 2 -0.23992296 1 0.100D+01 1 0 1 0 0 4 -0.00038053 1 0.100D+01 1 0 1 0 2 0 0.20840574 1 0.100D+01 1 0 1 0 2 2 0.00042940 1 0.100D+01 1 0 1 0 4 0 -0.00016444 1 0.100D+01 1 0 1 1 0 1 -0.05262145 1 0.100D+01 1 0 1 2 0 0 0.06869557 1 0.100D+01 1 0 1 2 0 2 -0.00005089 1 0.100D-02 1 0 1 2 2 0 -0.00008221 1 0.100D-02 1 1 1 0 0 2 0.27196366 1 0.100D+01 1 1 1 0 2 0 -0.07602026 1 0.100D+01 1 1 1 2 0 0 -0.03945661 1 0.100D+01 2 0 1 0 0 2 -0.03684088 1 0.100D+01 2 0 1 0 2 0 0.03695412 1 0.100D+01 2 0 1 2 0 0 -0.00075178 1 0.100D+01 SYMMETRY BLOCK 00 SPIN WEIGHTS 6 10 SYMMETRY BLOCK 01 SPIN WEIGHTS 16 16 SYMMETRY BLOCK 11 SPIN WEIGHTS 2 6 SYMMETRY BLOCK 12 SPIN WEIGHTS 4 4 0 0 1 2 3 1 2 1 11074.3000 0.000 0.100 0 1 1 2 3 1 2 1 11350.9450 0.000 0.020 1 1 1 2 3 1 2 1 0.0000 0.000 0.000 1 2 1 2 3 1 2 1 0.0000 0.000 0.000 etc... 0 0 1 18 18 1 17 17 250751.6200 0.000 0.100 0 1 1 18 18 1 17 17 251606.3900 0.000 0.100 1 1 1 18 18 1 17 17 252483.0600 0.000 0.100 1 2 1 18 18 1 17 17 0.0000 0.000 0.000 876 TRANSITIONS, 671 WITH NON-ZERO WEIGHT ************** * CYCLE 1 * ************** 1 00 1 2 3 1 2 1 11074.3000 0.00 10.00 -0.1433 -1.4330 2 01 1 2 3 1 2 1 11350.9450 0.00 50.00 -0.0668 -3.3419 3 11 1 2 3 1 2 1 0.0000 0.00 0.00 -11299.7545 0.0000 4 12 1 2 3 1 2 1 0.0000 0.00 0.00 -11904.1678 0.0000 5 00 1 3 3 1 3 1 20075.6770 0.00 50.00 -0.1282 -6.4092 6 01 1 3 3 1 3 1 20327.7570 0.00 0.00 -0.3327 0.0000 7 11 1 3 3 1 3 1 20259.5460 0.00 0.00 -0.5065 0.0000 8 12 1 3 3 1 3 1 20863.6380 0.00 0.00 -1.0315 0.0000 9 12 1 3 3 1 3 1 20867.9840 0.00 0.00 3.3145 0.0000 10 00 1 2 5 1 2 3 0.0000 0.00 0.00 -7063.8495 0.0000 etc... 867 11 1 18 16 1 17 15 242893.9900 0.00 10.00 0.1382 1.3823 868 12 1 18 16 1 17 15 242890.0900 0.00 0.00 -1.1092 0.0000 869 00 1 18 17 1 17 18 250401.9900 0.00 10.00 0.1116 1.1156 870 01 1 18 17 1 17 18 251167.9500 0.00 10.00 0.1441 1.4408 871 11 1 18 17 1 17 18 0.0000 0.00 0.00 -251847.4890 0.0000 872 12 1 18 17 1 17 18 0.0000 0.00 0.00 -251948.4427 0.0000 873 00 1 18 18 1 17 17 250751.6200 0.00 10.00 0.4504 4.5037 874 01 1 18 18 1 17 17 251606.3900 0.00 10.00 0.0525 0.5251 875 11 1 18 18 1 17 17 252483.0600 0.00 10.00 0.9013 9.0133 876 12 1 18 18 1 17 17 0.0000 0.00 0.00 -252358.8861 0.0000 SINGULAR VALUES AND RIGHT SINGULAR VECTORS FOR JACOBIANMATRIX 0.1723D+08 0.00003 0.00119 0.00001 0.00002 -0.00006 0.00005 -0.00001 -0.00001 -0.00019 0.00000 -0.00007 0.00001 0.00001 0.00000 0.00022 0.00000 0.00000 0.00000 0.00007 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00002 -0.00718 -0.00063 -0.02697 -0.99961 0.00000 0.00104 0.00003 0.00169 -0.00002 -0.00019 0.00022 0.00003 0.00000 -0.00007 0.2133D+07 -0.00022 0.01673 -0.00032 -0.00069 0.00017 0.00094 0.00042 0.00019 0.00187 -0.00001 -0.00088 -0.00042 etc... 0.06127 0.00364 -0.00001 -0.00354 0.00000 0.00000 0.00393 -0.00135 -0.00359 0.00102 -0.00121 0.00018 0.00006 0.00094 -0.00019 -0.00041 0.4463D+01 0.00672 0.00022 -0.00198 0.00008 0.00024 0.00587 -0.05238 0.04978 0.00291 -0.01593 -0.00046 0.13825 -0.69728 0.65611 -0.00026 0.06845 -0.21566 0.01815 -0.00008 -0.02635 0.00203 0.00058 -0.00050 -0.00024 -0.07956 -0.00432 0.00001 0.00502 -0.00001 0.00000 -0.00422 0.00260 -0.00379 0.00004 -0.00078 0.00011 0.00005 -0.00036 0.00003 -0.00006 40 SINGULAR VALUES USED OUT OF 40, STANDARD DEVIATION = 0.15032383D+02 621 NORMAL EQUATIONS STATE OLD PARAMETER STANDARD ERROR CHANGE PREC SCALE FAC 1 RHO1 0.625926982487D-01 0.48480D-04 -0.33036D-06 0.10116D-05 0.100D-02 RHO2 0.625926982487D-01 2 BETA1 0.258860386635D+02 0.82729D-01 -0.10785D-01 0.89810D-03 0.100D+01 BETA2 0.258860386635D+02 ALPHA1 0.000000000000D+00 ALPHA2 0.000000000000D+00 1 3 A 0.101772050877D+05 0.26223D-01 -0.24232D-02 0.31589D-02 0.100D+01 1 4 B 0.850284897957D+04 0.22624D-01 -0.33394D-02 0.27037D-02 0.100D+01 1 5 C 0.491025075253D+04 0.11795D-01 0.93753D-03 0.11074D-02 0.100D+01 1 6 DELTA J 0.491498966845D+01 0.62842D-01 -0.66497D-02 0.74427D-03 0.100D+01 1 7 DELTA JK -0.332910075006D+01 0.46467D+00 0.15988D-01 0.55905D-02 0.100D+01 1 8 DELTA K 0.977527731461D+01 0.58418D+00 -0.88455D-02 0.12866D-01 0.100D+01 1 9 DDELTA J 0.207864365098D+01 0.30983D-01 -0.35361D-02 0.44727D-03 0.100D+01 1 10 DDELTA K -0.514471740482D+00 0.15972D+00 -0.12256D-01 0.54958D-02 0.100D+01 1 11 PHI J 0.101606084299D+00 0.71687D-01 0.40799D-02 0.61575D-03 0.100D+01 1 12 PHI JK -0.961475407195D+00 0.89585D+00 0.11702D-01 0.55196D-02 0.100D+01 1 13 PHI KJ 0.693614613989D+00 0.24643D+01 -0.26120D+00 0.13272D-01 0.100D+01 1 14 PHI K 0.907644737211D+00 0.23676D+01 0.31831D+00 0.26256D-01 0.100D+01 1 15 PPHI J 0.531916246137D-01 0.35801D-01 0.20026D-02 0.36185D-03 0.100D+01 1 16 PPHI JK -0.217951061456D+00 0.38565D+00 0.11973D-01 0.51786D-02 0.100D+01 1 17 PPHI K -0.445203788184D+00 0.76852D+00 -0.10726D+00 0.20834D-01 0.100D+01 1 18 1-1 1 0 0 0 0.965533309421D+02 0.27201D+00 -0.66416D-01 0.54653D-01 0.100D+01 1 19 1 0 1 0 0 0 0.554790375542D+04 0.27442D+01 -0.58979D+00 0.92190D-01 0.100D+04 1 20 1 1 1 0 0 0 0.619558513435D+02 0.78245D+00 0.37284D+01 0.24532D+00 0.100D+01 1 21 2 0 1 0 0 0 0.152242830456D+02 0.39433D+00 -0.94522D-01 0.47610D-01 0.100D+01 1 22 1-1 1 0 0 2 -0.529927127074D-01 0.80057D-02 -0.20117D-03 0.18137D-02 0.100D+01 1 23 1-1 1 0 2 0 0.209748784777D-01 0.44515D-02 0.53783D-03 0.68854D-03 0.100D+01 1 24 1-1 1 2 0 0 0.639139722261D-02 0.22756D-02 0.36551D-03 0.48278D-03 0.100D+01 1 1 0-1 0 0 1 0.000000000000D+00 1 25 1 0-1 1 0 0 -0.290223383275D+00 0.53614D+00 0.45825D+00 0.88392D-02 0.100D+01 1 26 1 0 1 0 0 2 -0.239922962913D+00 0.35555D-01 0.14410D-02 0.14362D-02 0.100D+01 1 27 1 0 1 0 0 4 -0.380529328339D-03 0.11647D-03 0.11675D-04 0.92855D-05 0.100D+01 1 28 1 0 1 0 2 0 0.208405741965D+00 0.34251D-01 -0.16585D-02 0.68432D-03 0.100D+01 1 29 1 0 1 0 2 2 0.429396628657D-03 0.78350D-04 0.47373D-05 0.47593D-05 0.100D+01 1 30 1 0 1 0 4 0 -0.164437708606D-03 0.17536D-04 -0.36879D-05 0.54389D-06 0.100D+01 1 31 1 0 1 1 0 1 -0.526214542270D-01 0.54021D-01 0.17562D-01 0.10507D-01 0.100D+01 1 32 1 0 1 2 0 0 0.686955728971D-01 0.15848D-01 -0.11809D-02 0.33730D-03 0.100D+01 1 33 1 0 1 2 0 2 -0.508906456607D-04 0.55698D-04 0.73579D-05 0.52577D-05 0.100D-02 1 34 1 0 1 2 2 0 -0.822133570727D-04 0.86453D-05 -0.19152D-05 0.30786D-06 0.100D-02 1 35 1 1 1 0 0 2 0.271963661617D+00 0.95156D-02 -0.83107D-02 0.21664D-02 0.100D+01 1 36 1 1 1 0 2 0 -0.760202605374D-01 0.43939D-02 0.76529D-02 0.63625D-03 0.100D+01 1 37 1 1 1 2 0 0 -0.394566096710D-01 0.24920D-02 0.37838D-02 0.36096D-03 0.100D+01 1 38 2 0 1 0 0 2 -0.368408820252D-01 0.59338D-02 0.63858D-03 0.14251D-02 0.100D+01 1 39 2 0 1 0 2 0 0.369541232710D-01 0.25734D-02 -0.83114D-03 0.48849D-03 0.100D+01 1 40 2 0 1 2 0 0 -0.751779480623D-03 0.25233D-02 0.67315D-04 0.32710D-03 0.100D+01 CORRELATION MATRIX PAR 1 2 3 4 5 6 7 8 9 10 11 12 1 100000 2 85644 100000 3 -39387 -35747 100000 etc... 37 100000 38 -8702 100000 39 -9014 -53377 100000 40 36493 -17434 -789 100000 ************** * CYCLE 2 * ************** etc... 40 SINGULAR VALUES USED OUT OF 40, STANDARD DEVIATION = 0.24173476D+01 621 NORMAL EQUATIONS STATE OLD PARAMETER STANDARD ERROR CHANGE PREC SCALE FAC 1 RHO1 0.625923678879D-01 0.77838D-05 -0.16297D-06 0.16264D-06 0.100D-02 2 BETA1 0.258752532844D+02 0.13278D-01 -0.28962D-03 0.14437D-03 0.100D+01 1 3 A 0.101772026645D+05 0.42159D-02 0.15109D-04 0.50800D-03 0.100D+01 1 4 B 0.850284564021D+04 0.36378D-02 0.55761D-06 0.43481D-03 0.100D+01 1 5 C 0.491025169006D+04 0.18968D-02 -0.14057D-05 0.17807D-03 0.100D+01 1 6 DELTA J 0.490833992482D+01 0.10098D-01 -0.85141D-04 0.11969D-03 0.100D+01 1 7 DELTA JK -0.331311262553D+01 0.74695D-01 0.92864D-03 0.89900D-03 0.100D+01 1 8 DELTA K 0.976643182079D+01 0.93943D-01 -0.91828D-03 0.20690D-02 0.100D+01 1 9 DDELTA J 0.207510756748D+01 0.49781D-02 -0.43472D-04 0.71925D-04 0.100D+01 1 10 DDELTA K -0.526727254941D+00 0.25693D-01 0.34267D-03 0.88377D-03 0.100D+01 1 11 PHI J 0.105685994825D+00 0.11529D-01 -0.95315D-04 0.99018D-04 0.100D+01 1 12 PHI JK -0.949773379965D+00 0.14404D+00 0.23243D-04 0.88759D-03 0.100D+01 1 13 PHI KJ 0.432419055664D+00 0.39616D+00 0.36074D-02 0.21342D-02 0.100D+01 1 14 PHI K 0.122595863897D+01 0.38076D+00 -0.42995D-02 0.42221D-02 0.100D+01 1 15 PPHI J 0.551942580865D-01 0.57576D-02 -0.47866D-04 0.58188D-04 0.100D+01 1 16 PPHI JK -0.205978297056D+00 0.62000D-01 -0.17000D-03 0.83276D-03 0.100D+01 1 17 PPHI K -0.552466163245D+00 0.12359D+00 0.14535D-02 0.33503D-02 0.100D+01 1 18 1-1 1 0 0 0 0.964869152891D+02 0.43732D-01 0.59594D-04 0.87882D-02 0.100D+01 1 19 1 0 1 0 0 0 0.554731396353D+04 0.44118D+00 0.19259D-02 0.14820D-01 0.100D+04 1 20 1 1 1 0 0 0 0.656842981386D+02 0.12562D+00 -0.81857D-02 0.39410D-01 0.100D+01 1 21 2 0 1 0 0 0 0.151297608407D+02 0.63392D-01 0.20797D-05 0.76535D-02 0.100D+01 1 22 1-1 1 0 0 2 -0.531938867756D-01 0.12863D-02 -0.55339D-05 0.29166D-03 0.100D+01 1 23 1-1 1 0 2 0 0.215127100500D-01 0.71463D-03 0.56768D-05 0.11073D-03 0.100D+01 1 24 1-1 1 2 0 0 0.675690727779D-02 0.36531D-03 0.20740D-05 0.77638D-04 0.100D+01 1 25 1 0-1 1 0 0 0.168028869567D+00 0.86042D-01 0.13904D-02 0.14188D-02 0.100D+01 1 26 1 0 1 0 0 2 -0.238481998074D+00 0.57062D-02 0.11763D-03 0.23096D-03 0.100D+01 1 27 1 0 1 0 0 4 -0.368854769127D-03 0.18729D-04 0.28000D-07 0.14932D-05 0.100D+01 1 28 1 0 1 0 2 0 0.206747285624D+00 0.54965D-02 -0.12294D-03 0.11004D-03 0.100D+01 1 29 1 0 1 0 2 2 0.434133952418D-03 0.12602D-04 -0.10693D-06 0.76533D-06 0.100D+01 1 30 1 0 1 0 4 0 -0.168125649877D-03 0.28209D-05 0.52096D-07 0.87463D-07 0.100D+01 1 31 1 0 1 1 0 1 -0.350595704648D-01 0.86545D-02 0.98114D-04 0.16862D-02 0.100D+01 1 32 1 0 1 2 0 0 0.675146459894D-01 0.25430D-02 -0.54409D-04 0.54241D-04 0.100D+01 1 33 1 0 1 2 0 2 -0.435327056200D-04 0.89603D-05 -0.11403D-06 0.84549D-06 0.100D-02 1 34 1 0 1 2 2 0 -0.841285337284D-04 0.13908D-05 0.26235D-07 0.49507D-07 0.100D-02 1 35 1 1 1 0 0 2 0.263652981485D+00 0.15313D-02 0.44558D-04 0.34838D-03 0.100D+01 1 36 1 1 1 0 2 0 -0.683673271758D-01 0.70667D-03 -0.30885D-04 0.10231D-03 0.100D+01 1 37 1 1 1 2 0 0 -0.356727618412D-01 0.40080D-03 -0.15975D-04 0.58046D-04 0.100D+01 1 38 2 0 1 0 0 2 -0.362023061744D-01 0.95426D-03 0.21323D-05 0.22917D-03 0.100D+01 1 39 2 0 1 0 2 0 0.361229832920D-01 0.41380D-03 0.36299D-05 0.78555D-04 0.100D+01 1 40 2 0 1 2 0 0 -0.684464607942D-03 0.40574D-03 -0.57515D-05 0.52602D-04 0.100D+01 etc... ************** * CYCLE 3 * ************** etc... 40 SINGULAR VALUES USED OUT OF 40, STANDARD DEVIATION = 0.24172771D+01 621 NORMAL EQUATIONS STATE OLD PARAMETER STANDARD ERROR CHANGE PREC SCALE FAC 1 RHO1 0.625922049189D-01 0.77837D-05 -0.31449D-09 0.16264D-06 0.100D-02 2 BETA1 0.258749636682D+02 0.13278D-01 -0.68391D-06 0.14437D-03 0.100D+01 1 3 A 0.101772026796D+05 0.42158D-02 0.52550D-07 0.50799D-03 0.100D+01 1 4 B 0.850284564076D+04 0.36377D-02 -0.30408D-07 0.43479D-03 0.100D+01 1 5 C 0.491025168866D+04 0.18968D-02 -0.56177D-08 0.17807D-03 0.100D+01 1 6 DELTA J 0.490825478340D+01 0.10097D-01 -0.27189D-06 0.11968D-03 0.100D+01 1 7 DELTA JK -0.331218398498D+01 0.74693D-01 0.24915D-05 0.89897D-03 0.100D+01 1 8 DELTA K 0.976551354470D+01 0.93940D-01 -0.22209D-05 0.20689D-02 0.100D+01 1 9 DDELTA J 0.207506409530D+01 0.49779D-02 -0.13966D-06 0.71923D-04 0.100D+01 1 10 DDELTA K -0.526384587463D+00 0.25692D-01 0.89463D-06 0.88374D-03 0.100D+01 1 11 PHI J 0.105590679626D+00 0.11529D-01 -0.24136D-06 0.99015D-04 0.100D+01 1 12 PHI JK -0.949750137120D+00 0.14404D+00 0.61217D-06 0.88757D-03 0.100D+01 1 13 PHI KJ 0.436026490101D+00 0.39615D+00 0.63143D-05 0.21341D-02 0.100D+01 1 14 PHI K 0.122165911979D+01 0.38075D+00 -0.74200D-05 0.42220D-02 0.100D+01 1 15 PPHI J 0.551463922411D-01 0.57574D-02 -0.12248D-06 0.58186D-04 0.100D+01 1 16 PPHI JK -0.206148300690D+00 0.61998D-01 -0.14649D-06 0.83273D-03 0.100D+01 1 17 PPHI K -0.551012676147D+00 0.12359D+00 0.32181D-05 0.33502D-02 0.100D+01 1 18 1-1 1 0 0 0 0.964869748828D+02 0.43730D-01 -0.11045D-05 0.87879D-02 0.100D+01 1 19 1 0 1 0 0 0 0.554731588947D+04 0.44118D+00 -0.34747D-05 0.14819D-01 0.100D+04 1 20 1 1 1 0 0 0 0.656761124597D+02 0.12562D+00 0.27930D-05 0.39410D-01 0.100D+01 1 21 2 0 1 0 0 0 0.151297629204D+02 0.63391D-01 -0.17028D-05 0.76532D-02 0.100D+01 1 22 1-1 1 0 0 2 -0.531994206446D-01 0.12863D-02 0.12126D-08 0.29166D-03 0.100D+01 1 23 1-1 1 0 2 0 0.215183868916D-01 0.71460D-03 0.13799D-07 0.11072D-03 0.100D+01 1 24 1-1 1 2 0 0 0.675898131268D-02 0.36530D-03 0.95074D-08 0.77636D-04 0.100D+01 1 25 1 0-1 1 0 0 0.169419297534D+00 0.86043D-01 0.44262D-05 0.14188D-02 0.100D+01 1 26 1 0 1 0 0 2 -0.238364365536D+00 0.57062D-02 0.22588D-06 0.23095D-03 0.100D+01 1 27 1 0 1 0 0 4 -0.368826769613D-03 0.18728D-04 0.32595D-09 0.14932D-05 0.100D+01 1 28 1 0 1 0 2 0 0.206624350084D+00 0.54965D-02 -0.26922D-06 0.11004D-03 0.100D+01 1 29 1 0 1 0 2 2 0.434027021130D-03 0.12602D-04 -0.15541D-09 0.76531D-06 0.100D+01 1 30 1 0 1 0 4 0 -0.168073554203D-03 0.28209D-05 0.87759D-10 0.87460D-07 0.100D+01 1 31 1 0 1 1 0 1 -0.349614568256D-01 0.86544D-02 0.16818D-06 0.16861D-02 0.100D+01 1 32 1 0 1 2 0 0 0.674602366160D-01 0.25430D-02 -0.12169D-06 0.54240D-04 0.100D+01 1 33 1 0 1 2 0 2 -0.436467329193D-04 0.89600D-05 -0.11260D-09 0.84547D-06 0.100D-02 1 34 1 0 1 2 2 0 -0.841022984772D-04 0.13907D-05 0.44053D-10 0.49505D-07 0.100D-02 1 35 1 1 1 0 0 2 0.263697539308D+00 0.15312D-02 0.24221D-07 0.34837D-03 0.100D+01 1 36 1 1 1 0 2 0 -0.683982119774D-01 0.70665D-03 -0.13610D-07 0.10231D-03 0.100D+01 1 37 1 1 1 2 0 0 -0.356887366713D-01 0.40079D-03 -0.86004D-08 0.58044D-04 0.100D+01 1 38 2 0 1 0 0 2 -0.362001738734D-01 0.95424D-03 0.95886D-08 0.22916D-03 0.100D+01 1 39 2 0 1 0 2 0 0.361266131680D-01 0.41379D-03 0.38688D-08 0.78553D-04 0.100D+01 1 40 2 0 1 2 0 0 -0.690216119088D-03 0.40573D-03 -0.15935D-07 0.52600D-04 0.100D+01 etc... ************** * CYCLE 4 * ************** etc... 40 SINGULAR VALUES USED OUT OF 40, STANDARD DEVIATION = 0.24172771D+01 621 NORMAL EQUATIONS STATE OLD PARAMETER STANDARD ERROR CHANGE PREC SCALE FAC 1 RHO1 0.625922046044D-01 0.77837D-05 -0.23315D-11 0.16264D-06 0.100D-02 2 BETA1 0.258749629843D+02 0.13278D-01 -0.43325D-08 0.14437D-03 0.100D+01 1 3 A 0.101772026797D+05 0.42158D-02 0.50905D-09 0.50799D-03 0.100D+01 1 4 B 0.850284564073D+04 0.36377D-02 -0.18043D-10 0.43479D-03 0.100D+01 1 5 C 0.491025168865D+04 0.18968D-02 -0.21534D-10 0.17807D-03 0.100D+01 1 6 DELTA J 0.490825451151D+01 0.10097D-01 -0.14566D-08 0.11968D-03 0.100D+01 1 7 DELTA JK -0.331218149352D+01 0.74693D-01 0.13938D-07 0.89897D-03 0.100D+01 1 8 DELTA K 0.976551132377D+01 0.93940D-01 -0.11554D-07 0.20689D-02 0.100D+01 1 9 DDELTA J 0.207506395563D+01 0.49779D-02 -0.75328D-09 0.71923D-04 0.100D+01 1 10 DDELTA K -0.526383692835D+00 0.25692D-01 0.47247D-08 0.88374D-03 0.100D+01 1 11 PHI J 0.105590438263D+00 0.11529D-01 -0.90873D-09 0.99015D-04 0.100D+01 1 12 PHI JK -0.949749524954D+00 0.14404D+00 -0.49620D-08 0.88757D-03 0.100D+01 1 13 PHI KJ 0.436032804442D+00 0.39615D+00 0.59473D-07 0.21341D-02 0.100D+01 1 14 PHI K 0.122165169983D+01 0.38075D+00 -0.59846D-07 0.42220D-02 0.100D+01 1 15 PPHI J 0.551462697655D-01 0.57574D-02 -0.46692D-09 0.58186D-04 0.100D+01 1 16 PPHI JK -0.206148447178D+00 0.61998D-01 -0.41774D-08 0.83273D-03 0.100D+01 1 17 PPHI K -0.551009458006D+00 0.12359D+00 0.21818D-07 0.33502D-02 0.100D+01 1 18 1-1 1 0 0 0 0.964869737783D+02 0.43730D-01 -0.34546D-08 0.87879D-02 0.100D+01 1 19 1 0 1 0 0 0 0.554731588600D+04 0.44118D+00 0.17138D-07 0.14819D-01 0.100D+04 1 20 1 1 1 0 0 0 0.656761152527D+02 0.12562D+00 0.84687D-08 0.39410D-01 0.100D+01 1 21 2 0 1 0 0 0 0.151297612176D+02 0.63391D-01 -0.28882D-08 0.76532D-02 0.100D+01 1 22 1-1 1 0 0 2 -0.531994194319D-01 0.12863D-02 -0.81984D-10 0.29166D-03 0.100D+01 1 23 1-1 1 0 2 0 0.215184006902D-01 0.71460D-03 0.11114D-09 0.11072D-03 0.100D+01 1 24 1-1 1 2 0 0 0.675899082012D-02 0.36530D-03 0.59414D-10 0.77636D-04 0.100D+01 1 25 1 0-1 1 0 0 0.169423723754D+00 0.86043D-01 0.27981D-07 0.14188D-02 0.100D+01 1 26 1 0 1 0 0 2 -0.238364139656D+00 0.57062D-02 0.15836D-08 0.23095D-03 0.100D+01 1 27 1 0 1 0 0 4 -0.368826443659D-03 0.18728D-04 0.39164D-12 0.14932D-05 0.100D+01 1 28 1 0 1 0 2 0 0.206624080869D+00 0.54965D-02 -0.17794D-08 0.11004D-03 0.100D+01 1 29 1 0 1 0 2 2 0.434026865719D-03 0.12602D-04 -0.67709D-12 0.76531D-06 0.100D+01 1 30 1 0 1 0 4 0 -0.168073466445D-03 0.28209D-05 0.55475D-12 0.87460D-07 0.100D+01 1 31 1 0 1 1 0 1 -0.349612886409D-01 0.86544D-02 0.17366D-08 0.16861D-02 0.100D+01 1 32 1 0 1 2 0 0 0.674601149275D-01 0.25430D-02 -0.81452D-09 0.54240D-04 0.100D+01 1 33 1 0 1 2 0 2 -0.436468455231D-04 0.89600D-05 -0.89063D-12 0.84547D-06 0.100D-02 1 34 1 0 1 2 2 0 -0.841022544240D-04 0.13907D-05 0.27935D-12 0.49505D-07 0.100D-02 1 35 1 1 1 0 0 2 0.263697563528D+00 0.15312D-02 0.15525D-09 0.34837D-03 0.100D+01 1 36 1 1 1 0 2 0 -0.683982255877D-01 0.70665D-03 -0.78645D-10 0.10231D-03 0.100D+01 1 37 1 1 1 2 0 0 -0.356887452717D-01 0.40079D-03 -0.46142D-10 0.58044D-04 0.100D+01 1 38 2 0 1 0 0 2 -0.362001642848D-01 0.95424D-03 0.54557D-10 0.22916D-03 0.100D+01 1 39 2 0 1 0 2 0 0.361266170368D-01 0.41379D-03 0.24154D-10 0.78553D-04 0.100D+01 1 40 2 0 1 2 0 0 -0.690232053812D-03 0.40573D-03 -0.77193D-10 0.52600D-04 0.100D+01 etc... ************** * CYCLE 5 * ************** etc... 40 SINGULAR VALUES USED OUT OF 40, STANDARD DEVIATION = 0.24172771D+01 621 NORMAL EQUATIONS STATE OLD PARAMETER STANDARD ERROR CHANGE PREC SCALE FAC 1 RHO1 0.625922046021D-01 0.77837D-05 -0.12476D-13 0.16264D-06 0.100D-02 2 BETA1 0.258749629799D+02 0.13278D-01 0.17855D-10 0.14437D-03 0.100D+01 1 3 A 0.101772026797D+05 0.42158D-02 -0.52642D-11 0.50799D-03 0.100D+01 1 4 B 0.850284564073D+04 0.36377D-02 -0.37777D-10 0.43479D-03 0.100D+01 1 5 C 0.491025168865D+04 0.18968D-02 -0.21402D-11 0.17807D-03 0.100D+01 1 6 DELTA J 0.490825451005D+01 0.10097D-01 -0.14003D-09 0.11968D-03 0.100D+01 1 7 DELTA JK -0.331218147958D+01 0.74693D-01 0.87567D-09 0.89897D-03 0.100D+01 1 8 DELTA K 0.976551131222D+01 0.93940D-01 -0.89031D-09 0.20689D-02 0.100D+01 1 9 DDELTA J 0.207506395488D+01 0.49779D-02 -0.47914D-10 0.71923D-04 0.100D+01 1 10 DDELTA K -0.526383688110D+00 0.25692D-01 -0.18516D-10 0.88374D-03 0.100D+01 1 11 PHI J 0.105590437354D+00 0.11529D-01 -0.33114D-09 0.99015D-04 0.100D+01 1 12 PHI JK -0.949749529916D+00 0.14404D+00 0.36692D-08 0.88757D-03 0.100D+01 1 13 PHI KJ 0.436032863915D+00 0.39615D+00 -0.68967D-08 0.21341D-02 0.100D+01 1 14 PHI K 0.122165163998D+01 0.38075D+00 0.33314D-08 0.42220D-02 0.100D+01 1 15 PPHI J 0.551462692985D-01 0.57574D-02 -0.14781D-09 0.58186D-04 0.100D+01 1 16 PPHI JK -0.206148451355D+00 0.61998D-01 0.99476D-09 0.83273D-03 0.100D+01 1 17 PPHI K -0.551009436188D+00 0.12359D+00 -0.10130D-08 0.33502D-02 0.100D+01 1 18 1-1 1 0 0 0 0.964869737748D+02 0.43730D-01 0.22993D-09 0.87879D-02 0.100D+01 1 19 1 0 1 0 0 0 0.554731588602D+04 0.44118D+00 0.21256D-08 0.14819D-01 0.100D+04 1 20 1 1 1 0 0 0 0.656761152612D+02 0.12562D+00 -0.31403D-09 0.39410D-01 0.100D+01 1 21 2 0 1 0 0 0 0.151297612147D+02 0.63391D-01 0.43631D-09 0.76532D-02 0.100D+01 1 22 1-1 1 0 0 2 -0.531994195139D-01 0.12863D-02 -0.13546D-10 0.29166D-03 0.100D+01 1 23 1-1 1 0 2 0 0.215184008013D-01 0.71460D-03 -0.16873D-11 0.11072D-03 0.100D+01 1 24 1-1 1 2 0 0 0.675899087954D-02 0.36530D-03 -0.29908D-11 0.77636D-04 0.100D+01 1 25 1 0-1 1 0 0 0.169423751735D+00 0.86043D-01 -0.10180D-09 0.14188D-02 0.100D+01 1 26 1 0 1 0 0 2 -0.238364138073D+00 0.57062D-02 -0.17819D-11 0.23095D-03 0.100D+01 1 27 1 0 1 0 0 4 -0.368826443268D-03 0.18728D-04 -0.31429D-13 0.14932D-05 0.100D+01 1 28 1 0 1 0 2 0 0.206624079090D+00 0.54965D-02 0.13964D-10 0.11004D-03 0.100D+01 1 29 1 0 1 0 2 2 0.434026865041D-03 0.12602D-04 -0.82904D-13 0.76531D-06 0.100D+01 1 30 1 0 1 0 4 0 -0.168073465890D-03 0.28209D-05 -0.81386D-14 0.87460D-07 0.100D+01 1 31 1 0 1 1 0 1 -0.349612869043D-01 0.86544D-02 -0.80174D-10 0.16861D-02 0.100D+01 1 32 1 0 1 2 0 0 0.674601141130D-01 0.25430D-02 0.61011D-11 0.54240D-04 0.100D+01 1 33 1 0 1 2 0 2 -0.436468464137D-04 0.89600D-05 -0.37801D-13 0.84547D-06 0.100D-02 1 34 1 0 1 2 2 0 -0.841022541446D-04 0.13907D-05 -0.24880D-14 0.49505D-07 0.100D-02 1 35 1 1 1 0 0 2 0.263697563684D+00 0.15312D-02 0.12013D-10 0.34837D-03 0.100D+01 1 36 1 1 1 0 2 0 -0.683982256663D-01 0.70665D-03 -0.53984D-11 0.10231D-03 0.100D+01 1 37 1 1 1 2 0 0 -0.356887453179D-01 0.40079D-03 -0.37621D-11 0.58044D-04 0.100D+01 1 38 2 0 1 0 0 2 -0.362001642303D-01 0.95424D-03 0.24085D-11 0.22916D-03 0.100D+01 1 39 2 0 1 0 2 0 0.361266170610D-01 0.41379D-03 0.72459D-12 0.78553D-04 0.100D+01 1 40 2 0 1 2 0 0 -0.690232131005D-03 0.40573D-03 0.19164D-11 0.52600D-04 0.100D+01 etc... ************** * CYCLE 6 * ************** 1 00 1 2 3 1 2 1 11074.3000 0.00 10.00 -0.1394 -1.3940 2 01 1 2 3 1 2 1 11350.9450 0.00 50.00 0.0546 2.7319 3 11 1 2 3 1 2 1 0.0000 0.00 0.00 -11299.7123 0.0000 4 12 1 2 3 1 2 1 0.0000 0.00 0.00 -11904.1193 0.0000 5 00 1 3 3 1 3 1 20075.6770 0.00 50.00 -0.1221 -6.1069 6 01 1 3 3 1 3 1 20327.7570 0.00 0.00 0.1965 0.0000 7 11 1 3 3 1 3 1 20259.5460 0.00 0.00 0.3800 0.0000 8 12 1 3 3 1 3 1 20863.6380 0.00 0.00 -0.9124 0.0000 9 12 1 3 3 1 3 1 20867.9840 0.00 0.00 3.4336 0.0000 10 00 1 2 5 1 2 3 0.0000 0.00 0.00 -7063.8492 0.0000 11 01 1 2 5 1 2 3 8634.1090 0.00 50.00 -0.0594 -2.9680 12 11 1 2 5 1 2 3 0.0000 0.00 0.00 -8090.3185 0.0000 13 12 1 2 5 1 2 3 0.0000 0.00 0.00 -10273.8374 0.0000 14 00 1 3 5 1 3 3 10519.8420 0.00 50.00 -0.0615 -3.0747 15 01 1 3 5 1 3 3 11197.9860 0.00 50.00 -0.0785 -3.9232 16 11 1 3 5 1 3 3 11338.1530 0.00 0.00 -0.2954 0.0000 17 12 1 3 5 1 3 3 12117.6550 0.00 0.00 4.2100 0.0000 18 00 1 4 5 1 4 3 18416.4950 0.00 50.00 -0.0889 -4.4437 19 01 1 4 5 1 4 3 18680.5030 0.00 50.00 0.1173 5.8663 20 11 1 4 5 1 4 3 18452.1140 0.00 50.00 0.0698 3.4912 21 12 1 4 5 1 4 3 19438.6670 0.00 0.00 7.9050 0.0000 22 00 1 3 7 1 3 5 10569.4950 0.00 50.00 -0.0444 -2.2189 23 01 1 3 7 1 3 5 13410.2020 0.00 50.00 -0.0057 -0.2859 24 11 1 3 7 1 3 5 11705.0290 0.00 0.00 5.7706 0.0000 25 12 1 3 7 1 3 5 0.0000 0.00 0.00 -15801.0121 0.0000 26 00 1 4 7 1 4 5 11174.5360 0.00 50.00 -0.0544 -2.7178 27 01 1 4 7 1 4 5 12683.0720 0.00 50.00 -0.0415 -2.0770 28 11 1 4 7 1 4 5 12692.4090 0.00 50.00 -0.0349 -1.7450 29 12 1 4 7 1 4 5 14416.1000 0.00 0.00 0.6786 0.0000 30 00 1 5 7 1 5 5 16725.9860 0.00 50.00 -0.0574 -2.8722 31 01 1 5 7 1 5 5 17274.7010 0.00 50.00 -0.0502 -2.5104 32 11 1 5 7 1 5 5 17268.7790 0.00 50.00 0.0778 3.8906 33 12 1 5 7 1 5 5 0.0000 0.00 0.00 -18268.0043 0.0000 34 00 1 6 7 1 6 5 0.0000 0.00 0.00 -26284.5689 0.0000 35 01 1 6 7 1 6 5 0.0000 0.00 0.00 -26485.9491 0.0000 36 11 1 6 7 1 6 5 0.0000 0.00 0.00 -26117.2017 0.0000 37 12 1 6 7 1 6 5 0.0000 0.00 0.00 -27283.8393 0.0000 38 00 1 5 9 1 5 7 13544.6240 0.00 50.00 -0.0290 -1.4516 39 01 1 5 9 1 5 7 16334.8710 0.00 50.00 0.0326 1.6298 40 11 1 5 9 1 5 7 15356.7230 0.00 50.00 0.0554 2.7696 41 12 1 5 9 1 5 7 0.0000 0.00 0.00 -19099.5546 0.0000 42 00 1 6 9 1 6 7 15959.8230 0.00 50.00 -0.0219 -1.0954 43 01 1 6 9 1 6 7 17210.6880 0.00 50.00 0.0680 3.3991 44 11 1 6 9 1 6 7 0.0000 0.00 0.00 -17493.2230 0.0000 45 12 1 6 9 1 6 7 0.0000 0.00 0.00 -18784.0359 0.0000 46 00 1 7 9 1 7 7 23818.2920 0.00 50.00 0.0130 0.6508 47 01 1 7 9 1 7 7 24132.3210 0.00 50.00 -0.0941 -4.7029 48 11 1 7 9 1 7 7 23846.6440 0.00 0.00 0.5162 0.0000 49 12 1 7 9 1 7 7 0.0000 0.00 0.00 -25107.0600 0.0000 50 00 1 3 6 1 3 4 0.0000 0.00 0.00 -17880.1442 0.0000 51 01 1 3 6 1 3 4 16182.6720 0.00 50.00 -0.0756 -3.7787 52 11 1 3 6 1 3 4 0.0000 0.00 0.00 -19035.4971 0.0000 53 12 1 3 6 1 3 4 0.0000 0.00 0.00 -14623.2391 0.0000 54 00 1 2 4 1 2 2 15318.8000 0.00 10.00 -0.2414 -2.4137 55 01 1 2 4 1 2 2 14632.8130 0.00 50.00 -0.0924 -4.6201 56 11 1 2 4 1 2 2 0.0000 0.00 0.00 -16158.2561 0.0000 57 12 1 2 4 1 2 2 0.0000 0.00 0.00 -13501.5267 0.0000 58 00 1 1 2 1 0 1 14926.7800 0.00 10.00 -0.1567 -1.5667 59 01 1 1 2 1 0 1 14714.5670 0.00 50.00 -0.0426 -2.1297 60 11 1 1 2 1 0 1 0.0000 0.00 0.00 -15159.6052 0.0000 61 12 1 1 2 1 0 1 0.0000 0.00 0.00 -14120.5479 0.0000 62 00 1 5 11 1 5 9 21865.4610 0.00 50.00 0.0487 2.4332 63 01 1 5 11 1 5 9 25781.3930 0.00 50.00 0.0545 2.7258 64 11 1 5 11 1 5 9 0.0000 0.00 0.00 -23552.3307 0.0000 65 00 1 6 11 1 6 9 17862.4630 0.00 50.00 -0.0028 -0.1390 66 01 1 6 11 1 6 9 21985.4420 0.00 50.00 -0.1368 -6.8405 67 11 1 6 11 1 6 9 19716.6370 0.00 0.00 -0.3599 0.0000 68 12 1 6 11 1 6 9 25329.2680 0.00 0.00 1.0617 0.0000 69 00 1 7 11 1 7 9 16911.1630 0.00 50.00 0.0096 0.4806 70 01 1 7 11 1 7 9 19310.7630 0.00 0.00 0.3303 0.0000 71 11 1 7 11 1 7 9 19179.1220 0.00 0.00 2.2297 0.0000 72 12 1 7 11 1 7 9 21993.0530 0.00 0.00 1.4772 0.0000 73 00 1 8 11 1 8 9 21738.8050 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0.02478 -0.05926 -0.00783 0.00912 0.00929 -0.08839 -0.03682 -0.00013 -0.02482 0.00014 0.00000 0.18072 -0.01680 0.05416 0.00329 -0.01055 0.00612 0.00437 0.01423 -0.00215 -0.00196 0.1200D+03 -0.00213 0.00002 0.02633 0.00961 0.01477 -0.06508 0.14710 0.27268 -0.02853 -0.31023 -0.11764 0.38020 0.16832 -0.16035 -0.05571 -0.07478 -0.74892 0.07104 0.00052 0.01257 -0.08308 -0.00254 0.00134 -0.00263 -0.02770 -0.00758 0.00013 -0.00553 -0.00006 0.00001 0.00448 -0.00075 -0.08131 0.00717 -0.00001 0.00471 0.00315 0.00149 -0.00143 -0.00012 0.7592D+02 -0.03579 -0.00091 0.04060 0.01819 -0.00252 0.05408 -0.29864 0.51925 0.02631 -0.02219 0.01388 0.15360 -0.10875 -0.12575 0.00616 0.10961 0.13186 -0.68331 0.00234 0.01567 0.01403 -0.00677 0.00777 0.00416 0.28385 0.00667 0.00003 -0.02637 -0.00003 0.00003 0.03023 -0.00946 -0.05106 0.01448 0.01662 -0.00425 -0.00220 0.00441 0.00209 -0.00337 0.6494D+02 -0.01600 0.00007 0.00980 0.01552 -0.00304 0.01168 0.18240 -0.41475 0.01173 0.05322 0.09726 -0.43566 -0.09441 -0.10650 0.05086 0.00483 -0.45274 -0.56813 0.00270 -0.09314 0.16363 0.00542 0.00446 0.00160 -0.05999 -0.01476 -0.00010 -0.00373 0.00009 -0.00001 -0.01586 -0.00321 0.03812 -0.00335 -0.00111 0.00276 0.00179 0.00683 -0.00212 0.00142 0.4558D+02 0.00802 0.00097 0.03138 0.00915 -0.00106 -0.07359 0.36250 0.01464 -0.03719 0.03528 -0.10947 0.40028 0.24939 0.24222 -0.05471 -0.03924 0.22420 -0.27293 0.00290 -0.12357 0.51783 0.00178 0.00172 0.00111 -0.38167 -0.02864 -0.00011 0.01794 0.00010 -0.00002 -0.03472 0.00625 0.07240 -0.00866 0.00344 0.00187 0.00152 -0.00111 -0.00044 0.00282 0.3724D+02 -0.06790 -0.00129 0.01247 0.01576 0.00061 0.02881 -0.06095 0.06076 0.01442 0.00843 0.02759 -0.09231 -0.06559 -0.04722 0.01390 0.00576 -0.12121 0.29119 0.00339 0.04182 0.77997 -0.00754 0.00046 0.00028 0.49977 0.04416 -0.00007 -0.03479 -0.00007 0.00002 0.04048 -0.01384 -0.07653 0.01031 0.00476 -0.00254 -0.00138 -0.00281 0.00255 -0.00159 0.2719D+02 0.04287 0.00187 -0.01503 0.00796 0.00011 0.06641 -0.40601 0.19482 0.03345 -0.08411 0.06293 -0.15773 -0.18230 -0.30922 0.03140 0.04830 -0.04869 0.10322 0.00119 0.22834 0.28741 0.00168 -0.00350 -0.00168 -0.68306 -0.03970 -0.00005 0.04269 0.00002 -0.00001 -0.05404 0.01982 0.01787 -0.00655 -0.00412 0.00267 0.00145 -0.00088 0.00029 0.00215 0.1924D+02 0.00245 0.00015 0.00121 0.00550 -0.00047 0.02862 -0.13067 0.06842 0.01483 -0.01045 0.02079 0.00532 -0.10543 -0.18496 0.01062 0.04495 0.00866 0.12209 0.00027 -0.95275 0.01667 -0.00394 0.00081 0.00035 -0.07617 -0.00142 -0.00001 0.00325 -0.00001 0.00000 0.01106 0.00195 -0.01241 0.00136 0.00358 -0.00277 -0.00146 0.00167 -0.00015 -0.00047 0.9910D+01 -0.00507 -0.00015 -0.00237 0.00026 -0.00013 -0.00939 0.21076 -0.34647 -0.00428 0.08528 -0.02324 0.48715 -0.48087 -0.53687 -0.01151 0.19925 0.12098 0.00931 0.00004 0.11120 -0.00424 0.00041 -0.00014 -0.00007 0.06162 0.00367 -0.00001 -0.00357 0.00000 0.00000 0.00394 -0.00136 -0.00363 0.00103 -0.00120 0.00018 0.00006 0.00094 -0.00019 -0.00041 0.4464D+01 0.00670 0.00022 -0.00198 0.00008 0.00024 0.00585 -0.05235 0.04982 0.00290 -0.01595 -0.00045 0.13807 -0.69709 0.65628 -0.00026 0.06838 -0.21572 0.01812 -0.00008 -0.02835 0.00196 0.00057 -0.00050 -0.00023 -0.07935 -0.00431 0.00001 0.00501 -0.00001 0.00000 -0.00418 0.00260 -0.00379 0.00004 -0.00078 0.00011 0.00005 -0.00036 0.00003 -0.00006 40 SINGULAR VALUES USED OUT OF 40, STANDARD DEVIATION = 0.24172771D+01 621 NORMAL EQUATIONS STATE OLD PARAMETER STANDARD ERROR CHANGE PREC SCALE FAC 1 RHO1 0.625922046020D-01 0.77837D-05 -0.88287D-15 0.16264D-06 0.100D-02 RHO2 0.625922046020D-01 2 BETA1 0.258749629799D+02 0.13278D-01 -0.20730D-10 0.14437D-03 0.100D+01 BETA2 0.258749629799D+02 ALPHA1 0.000000000000D+00 ALPHA2 0.000000000000D+00 1 3 A 0.101772026797D+05 0.42158D-02 -0.15683D-10 0.50799D-03 0.100D+01 1 4 B 0.850284564073D+04 0.36377D-02 0.22177D-10 0.43479D-03 0.100D+01 1 5 C 0.491025168865D+04 0.18968D-02 -0.25040D-11 0.17807D-03 0.100D+01 1 6 DELTA J 0.490825450991D+01 0.10097D-01 0.11909D-09 0.11968D-03 0.100D+01 1 7 DELTA JK -0.331218147871D+01 0.74693D-01 -0.42713D-09 0.89897D-03 0.100D+01 1 8 DELTA K 0.976551131133D+01 0.93940D-01 0.14142D-09 0.20689D-02 0.100D+01 1 9 DDELTA J 0.207506395483D+01 0.49779D-02 0.48125D-10 0.71923D-04 0.100D+01 1 10 DDELTA K -0.526383688129D+00 0.25692D-01 0.14539D-09 0.88374D-03 0.100D+01 1 11 PHI J 0.105590437023D+00 0.11529D-01 0.21652D-09 0.99015D-04 0.100D+01 1 12 PHI JK -0.949749526247D+00 0.14404D+00 -0.13759D-08 0.88757D-03 0.100D+01 1 13 PHI KJ 0.436032857018D+00 0.39615D+00 0.19086D-08 0.21341D-02 0.100D+01 1 14 PHI K 0.122165164331D+01 0.38075D+00 -0.12032D-08 0.42220D-02 0.100D+01 1 15 PPHI J 0.551462691507D-01 0.57574D-02 0.94402D-10 0.58186D-04 0.100D+01 1 16 PPHI JK -0.206148450360D+00 0.61998D-01 -0.10167D-09 0.83273D-03 0.100D+01 1 17 PPHI K -0.551009437201D+00 0.12359D+00 0.20419D-09 0.33502D-02 0.100D+01 1 18 1-1 1 0 0 0 0.964869737751D+02 0.43730D-01 -0.17194D-09 0.87879D-02 0.100D+01 1 19 1 0 1 0 0 0 0.554731588602D+04 0.44118D+00 -0.13168D-08 0.14819D-01 0.100D+04 1 20 1 1 1 0 0 0 0.656761152609D+02 0.12562D+00 0.77001D-09 0.39410D-01 0.100D+01 1 21 2 0 1 0 0 0 0.151297612151D+02 0.63391D-01 -0.35455D-09 0.76532D-02 0.100D+01 1 22 1-1 1 0 0 2 -0.531994195275D-01 0.12863D-02 0.79301D-11 0.29166D-03 0.100D+01 1 23 1-1 1 0 2 0 0.215184007997D-01 0.71460D-03 0.12334D-11 0.11072D-03 0.100D+01 1 24 1-1 1 2 0 0 0.675899087654D-02 0.36530D-03 -0.65461D-12 0.77636D-04 0.100D+01 1 1 0-1 0 0 1 0.000000000000D+00 1 25 1 0-1 1 0 0 0.169423751633D+00 0.86043D-01 0.14713D-09 0.14188D-02 0.100D+01 1 26 1 0 1 0 0 2 -0.238364138075D+00 0.57062D-02 0.10739D-10 0.23095D-03 0.100D+01 1 27 1 0 1 0 0 4 -0.368826443299D-03 0.18728D-04 -0.18110D-13 0.14932D-05 0.100D+01 1 28 1 0 1 0 2 0 0.206624079104D+00 0.54965D-02 -0.11696D-10 0.11004D-03 0.100D+01 1 29 1 0 1 0 2 2 0.434026864959D-03 0.12602D-04 0.16805D-13 0.76531D-06 0.100D+01 1 30 1 0 1 0 4 0 -0.168073465898D-03 0.28209D-05 0.14668D-13 0.87460D-07 0.100D+01 1 31 1 0 1 1 0 1 -0.349612869845D-01 0.86544D-02 -0.68071D-11 0.16861D-02 0.100D+01 1 32 1 0 1 2 0 0 0.674601141191D-01 0.25430D-02 -0.46208D-11 0.54240D-04 0.100D+01 1 33 1 0 1 2 0 2 -0.436468464515D-04 0.89600D-05 -0.27977D-14 0.84547D-06 0.100D-02 1 34 1 0 1 2 2 0 -0.841022541471D-04 0.13907D-05 0.65488D-14 0.49505D-07 0.100D-02 1 35 1 1 1 0 0 2 0.263697563696D+00 0.15312D-02 -0.75217D-11 0.34837D-03 0.100D+01 1 36 1 1 1 0 2 0 -0.683982256717D-01 0.70665D-03 0.38577D-11 0.10231D-03 0.100D+01 1 37 1 1 1 2 0 0 -0.356887453216D-01 0.40079D-03 0.41162D-11 0.58044D-04 0.100D+01 1 38 2 0 1 0 0 2 -0.362001642278D-01 0.95424D-03 -0.46679D-11 0.22916D-03 0.100D+01 1 39 2 0 1 0 2 0 0.361266170617D-01 0.41379D-03 0.59720D-11 0.78553D-04 0.100D+01 1 40 2 0 1 2 0 0 -0.690232129089D-03 0.40573D-03 -0.22291D-11 0.52600D-04 0.100D+01 CORRELATION MATRIX PAR 1 2 3 4 5 6 7 8 9 10 11 12 1 100000 2 85602 100000 3 -39342 -35696 100000 4 -10678 6256 61325 100000 5 2117 3227 21021 23269 100000 6 33492 46989 -12724 46011 23041 100000 7 -48564 -57392 24746 -8302 -2760 -76590 100000 8 32730 39052 7560 7730 4435 45489 -86907 100000 9 33906 47520 -18961 41721 -1706 95880 -76499 43651 100000 10 -44773 -49967 13167 3369 -14059 -45076 86097 -90641 -43909 100000 11 15572 26431 -10257 29789 7995 80755 -72699 49813 79810 -49044 100000 12 10077 10356 -16179 -223 3122 -14786 44330 -58439 -14041 50819 -58973 100000 13 -40817 -45352 30271 -3099 -6068 -28505 19455 -1776 -29290 9482 11474 -72848 14 46119 48023 -16385 -2273 7058 29171 -53367 55778 28420 -56409 8018 21327 15 15369 26185 -12149 28195 -456 78707 -72249 49067 81079 -49189 99233 -58916 16 17630 21736 -25956 7418 -760 11197 24418 -50227 13246 43656 -31495 94531 17 -44840 -50096 22677 -4252 -8240 -40292 54477 -47269 -40986 54025 -18736 -26345 18 5603 11212 -34071 4904 7766 40714 -31352 9925 40136 -15216 21148 11263 19 -51227 -862 29394 38686 -1550 12406 164 3256 13109 4521 13257 -5100 20 -6356 -7991 -10038 -15057 2230 -30853 30902 -28086 -32099 21197 -22012 8926 21 -22595 11072 19724 37592 -434 24441 -14438 11736 25220 -7778 15095 -2508 22 28886 33738 -30275 -19057 6670 -12211 5764 -9200 -13848 -1252 -12363 17990 23 -46410 -51452 52785 18807 -10733 -27609 30936 -9893 -25262 22524 -10213 -18967 24 -45655 -48038 54193 21445 -14326 -24241 28670 -7750 -23286 28918 -8955 -17467 25 -84917 -99802 32651 -8105 -2535 -47204 57836 -40507 -47895 50536 -27031 -9105 26 -71873 -92183 25202 -2281 -1625 -32360 45079 -34152 -32801 42560 -19946 -7017 27 20090 -5964 -12109 -22906 -234 -6119 -9837 13334 -5935 -17064 -7102 3622 28 88289 98505 -41050 -3225 3328 43451 -56584 37710 43663 -49745 24627 9812 29 8089 20146 12713 3569 -3230 -22640 21783 -13935 -22752 14514 -9398 -9098 30 -50422 -58788 17881 17945 1899 11343 12184 -13690 12339 22499 -4364 16950 31 -58940 -70619 35693 22317 -9777 -18713 32851 -21311 -16793 34279 -11747 -2334 32 87654 98010 -44274 -2920 7115 50204 -59917 38193 49961 -50460 26063 14836 33 31495 33078 4261 -11593 -4319 -30639 15076 -4043 -31155 2223 -11044 -16878 34 -51584 -60171 19582 19840 -1160 10818 12454 -13472 12440 22882 -4218 16126 35 -31135 -35026 38117 -3270 -5995 -7359 -565 14737 -7212 -2703 400 -25277 36 31115 37362 -14005 12000 -8689 -9950 5433 -6964 -8196 -4590 -5759 7222 37 29941 36679 -6364 16724 -11333 -12349 6238 -4874 -9892 -5597 -6765 4986 38 -23626 -14682 14495 14189 -1139 -3993 24711 -28444 -3816 31248 189 7511 39 -22010 -10674 4592 10594 1021 20760 -19564 18401 20539 -12277 12600 -7833 40 38157 53367 -7564 -5234 -400 -4858 -17534 20384 -5231 -30359 11038 -25192 PAR 13 14 15 16 17 18 19 20 21 22 23 24 13 100000 14 -78127 100000 15 11620 7526 100000 16 -80861 27576 -31458 100000 17 83479 -95655 -18664 -37975 100000 18 -25623 15026 20817 20713 -21852 100000 19 8134 -12273 13463 -1511 6849 -2981 100000 20 7605 -14355 -22425 2278 15028 -27850 -3075 100000 21 -2397 -254 15309 1908 -5227 24983 66632 2006 100000 22 -23833 21963 -13129 16733 -20803 -23668 -6938 35572 -22003 100000 23 38592 -31650 -8960 -26183 34758 -43214 15216 -18102 -6529 -59636 100000 24 35677 -28574 -8712 -22761 35077 -41152 18997 -16000 -3738 -47282 84574 100000 25 44410 -48020 -26844 -20501 49887 -8950 -816 11220 -10165 -32681 48539 45103 26 35610 -40088 -19708 -15620 40510 10478 -12978 4087 1918 -42827 39342 35337 27 -15410 23817 -7019 1921 -20889 4166 -51596 -437 -44135 4566 -14807 -18209 28 -44287 47200 24255 20599 -48390 12476 -10030 -7171 3622 34753 -54957 -51487 29 24773 -23407 -9400 -14086 27281 -44264 22237 12996 -861 23952 20140 22458 30 -8126 -3495 -3807 17803 -1832 16888 2597 -10738 7700 -31987 23274 18381 31 22333 -26263 -10873 -6863 26544 7188 316 -16601 -8217 -53324 67250 66559 32 -51029 51474 25561 26835 -53934 17958 -9797 -8971 6398 33283 -58166 -55078 33 26393 -16166 -11176 -23699 25634 -44955 -3458 16158 -17558 30498 8670 10600 34 -7133 -4163 -3486 17012 -1109 16544 2508 -11612 6501 -32858 24915 20063 35 31921 -19455 572 -29230 24192 -13187 12447 -32610 12590 -55552 55436 52379 36 -8541 6769 -5431 6161 -9402 -19623 471 51024 226 46251 -28161 -31972 37 -5756 5761 -6226 3183 -7990 -22505 3367 46828 3252 41360 -22081 -27143 38 11323 -28387 95 9316 22354 -23077 25184 -15306 -18885 -9235 34314 36734 39 -755 6525 12597 -5040 -5459 19930 24129 4302 30605 -1939 -12342 -14130 40 14452 497 10856 -25529 2236 -14406 15306 14201 15540 27983 -21411 -18327 PAR 25 26 27 28 29 30 31 32 33 34 35 36 25 100000 26 93122 100000 27 6312 3142 100000 28 -97994 -91112 1010 100000 29 -21432 -31369 -74352 15819 100000 30 58650 66433 7789 -64654 -43710 100000 31 69733 70286 1821 -72455 -18653 51691 100000 32 -97327 -88149 2008 98176 9124 -51849 -72275 100000 33 -33887 -44240 -38999 34262 83857 -75166 -31378 22554 100000 34 59922 67173 7609 -65381 -43484 99060 54133 -54151 -74697 100000 35 32786 29109 -3989 -33455 -3106 16072 32575 -34379 -6401 16432 100000 36 -36073 -37396 -491 33017 23378 -32513 -33560 29424 28227 -32015 -64319 100000 37 -35790 -37620 -714 32078 24511 -34025 -31075 27210 31089 -33170 -54410 95156 38 12295 -4091 -13017 -14496 13247 121 21370 -16857 -1252 1733 9973 -10027 39 11172 22383 -35739 -18187 6382 39536 -2521 -11562 -14560 38352 5902 -6826 40 -53356 -55034 -30736 53639 53799 -83731 -50650 42337 73744 -83158 -9024 33227 PAR 37 38 39 40 37 100000 38 -8746 100000 39 -9044 -53349 100000 40 36577 -17441 -830 100000 DERIVED PARAMETERS VALUE STD ERROR INTERNAL MOMENTS OF INERTIA (u*A**2) 3.2337118 0.0005069 3.2337118 0.0005069 REDUCED INTERNAL MOMENTS OF INERTIA (u*A**2) 3.0318664 0.0004507 3.0318664 0.0004507 0.1131481 0.0000556 ANGLES (A,1) 30.1371185 0.0146787 (B,1) 59.8628815 0.0146787 (C,1) 90.0000000 0.0000000 (A,2) 149.8628815 0.0146787 (B,2) 59.8628815 0.0146787 (C,2) 90.0000000 0.0000000 ALPHAQ1 0.0000000 0.0000000 ALPHAQ2 0.0000000 0.0000000 OMEGA 119.7257630 0.0293573 F-NUMBERS (F1,F2,F') (MHz) 166921.57 25.06 166921.57 25.06 -6229.45 4.66 F-NUMBERS (F1,F2,F') (CM-1) 5.5679042 0.0008359 5.5679042 0.0008359 -0.2077921 0.0001554 TORSIONAL ENERGY DIFFERENCES (MHz) -17173.8262 1.4931 -33571.7022 2.9291 -33664.1348 2.9180 PREDICTIONS VIBRATIONAL STATE 1 IS1 0 IS2 0 J = 0 22574.109 J = 1 35951.421- 37501.045 41056.956- R-TRANSITIONS 1 0 1 2 0 1 14926.9367 6 0.00000 1.00000 0.00000 0.22598 0.7441D-02 Q-TRANSITIONS 1 1 -3 1 -1 5105.5348 10 0.00000 1.50000 0.00000 0.06582 0.5588D-02 J = 2 etc... Q-TRANSITIONS 59 J = 60 18239655.742- 18239655.742 18745222.690- 18745222.690 19244417.385 19244417.385- 19736610.800 19736610.800- 20221357.338- 20221357.338 20698329.556 20698329.556- 21167277.337 21167277.337- 21628002.272- 21628002.272 22080341.579 22080341.579- 22524157.935- 22524157.935 22959332.962- 22959332.962 23385762.895 23385762.895- 23803355.528 23803355.528- 24212027.899- 24212027.899 24611704.356- 24611704.356 25002314.815 25002314.815- 25383793.100 25383793.100- 25756075.273- 25756075.273 26119097.920- 26119097.920 26472796.340- 26472796.340 26817102.587 26817102.587- 27151943.299 27151943.299- 27477237.238 27477237.238- 27792892.399 27792892.399- 28098802.529- 28098802.529 28394842.776- 28394842.776 28680864.097- 28680864.098 28956685.809- 28956685.810 29222085.291- 29222085.295 29476783.206 29476783.231- 29720421.027 29720421.576- 29952523.829 29952529.859- 30172426.062 30172477.330- 30379072.696 30379436.826- 30570341.334 30572529.098- 30740909.901 30751676.194- 30880746.908 30919628.644- 30992939.040 31083372.096- 31110384.462 31251526.474- 31258063.574 31429717.999- 31430917.604 31619472.265- 31619654.074 31820303.182- 31820326.645 32031429.600- 32031432.210 32252291.195- 32252291.447 32482552.188- 32482552.209 32722015.340- 32722015.342 32970553.171- 32970553.171 33228066.331- 33228066.331 33494461.960- 33494461.960 33769643.953- 33769643.953 34053508.800- 34053508.800 34345942.892 34345942.892- 34646819.251- 34646819.251 34955993.299 34955993.299- 35273298.275- 35273298.275 35598541.413 35598541.413- 35931502.015- 35931502.015 36271932.386- 36271932.386 36619562.311 36619562.311- 36974107.486- 36974107.486 R-TRANSITIONS 60 59 Q-TRANSITIONS 60 VIBRATIONAL STATE 1 IS1 0 IS2 1 J = 0 5400.283 J = 1 18743.236 20114.892 24433.986 R-TRANSITIONS 1 0 1 2 0 1 14714.6096 16 0.00565 0.91943 0.07492 0.54290 0.9261D-02 1 3 0 1 19033.7033 16 0.00953 0.07854 0.91193 0.07752 0.1025D-01 Q-TRANSITIONS 1 1 3 1 1 5690.7499 16 0.00018 1.31550 0.11239 0.11569 0.1356D-01 J = 2 etc... Q-TRANSITIONS 59 J = 60 18225249.498 18225249.498 18737954.746 18737954.746 19242312.383 19242312.383 19738207.134 19738207.134 20225549.018 20225549.018 20704264.508 20704264.508 21174291.069 21174291.069 21635573.753 21635573.753 22088063.007 22088063.007 22531713.190 22531713.190 22966481.492 22966481.492 23392327.062 23392327.062 23809210.242 23809210.242 24217091.838 24217091.838 24615932.382 24615932.382 25005691.362 25005691.362 25386326.394 25386326.394 25757792.308 25757792.308 26120040.122 26120040.122 26473015.880 26473015.880 26816659.285 26816659.285 27150902.090 27150902.090 27475666.145 27475666.145 27790860.992 27790860.992 28096380.834 28096380.834 28392100.637 28392100.637 28677870.999 28677870.999 28953511.223 28953511.223 29218799.696 29218799.700 29473460.053 29473460.087 29717140.372 29717140.704 29949379.626 29949382.736 30169545.363 30169571.953 30376681.302 30376883.971 30568998.733 30570339.132 30742095.143 30749441.288 30886193.697 30916118.097 30999186.661 31076733.947 31111031.902 31240522.402 31252858.857 31415970.820 31421926.813 31605739.994 31607546.843 31806188.493 31808185.083 32016491.202 32021761.592 32237617.223 32245455.650 32468970.497 32478578.496 32710090.245 32720651.450 32960599.670 32971338.341 33220176.541 33230403.584 33488535.069 33497684.327 33765414.363 33773071.168 34050571.308 34056494.290 34343776.771 34347912.814 34644814.480 34647305.756 34953482.027 34954663.518 35269593.473 35269979.411 35592982.931 35593241.270 35923508.447 35924423.675 36261055.435 36263481.458 36605538.971 36610345.230 36956904.576 36964919.483 R-TRANSITIONS 60 59 Q-TRANSITIONS 60 VIBRATIONAL STATE 1 IS1 1 IS2 1 J = 0 -10997.593 J = 1 2223.876- 4162.012 7982.627- R-TRANSITIONS 1 0 1 2 0 1 15159.6052 2 0.00000 1.00000 0.00000 0.07895 0.9667D-02 Q-TRANSITIONS 1 1 -3 1 -1 5758.7514 6 0.00000 1.28955 0.00000 0.04390 0.2673D-01 J = 2 etc... Q-TRANSITIONS 59 J = 60 18211442.971 18211442.971- 18730706.133 18730706.133- 19240013.695- 19240013.695 19739579.247 19739579.247- 20229564.944 20229564.944- 20710095.858- 20710095.858 21181269.734 21181269.734- 21643163.542- 21643163.542 22095837.852 22095837.852- 22539339.752 22539339.752- 22973704.784 22973704.784- 23398958.259- 23398958.259 23815116.138 23815116.138- 24222185.633- 24222185.633 24620165.594 24620165.594- 25009046.733 25009046.733- 25388811.689 25388811.689- 25759434.939 25759434.939- 26120882.531 26120882.531- 26473111.617 26473111.617- 26816069.731 26816069.731- 27149693.766 27149693.766- 27473908.563 27473908.563- 27788625.001- 27788625.001 28093737.430 28093737.430- 28389120.224 28389120.224- 28674623.108- 28674623.108 28950064.736- 28950064.736 29215223.702- 29215223.702 29469825.587- 29469825.588 29713523.640 29713523.660- 29945868.368 29945868.908- 30166254.594 30166262.462- 30373804.743 30373889.052- 30566996.041 30567705.097- 30742229.321 30746900.842- 30890414.666 30912789.146- 31004741.163 31071577.163- 31110167.512 31233399.569- 31243231.346 31406444.081- 31408187.489 31593559.797- 31593806.064 31794226.726- 31794255.980 32007138.691- 32007141.684 32231144.899- 32231145.167 32465354.099- 32465354.120 32709073.940- 32709073.942 32961755.545- 32961755.545 33222958.353- 33222958.353 33492328.356- 33492328.356 33769583.941- 33769583.941 34054505.912 34054505.912- 34346929.782 34346929.782- 34646739.338 34646739.338- 34953861.172 34953861.172- 35268260.247 35268260.247- 35589936.692 35589936.692- 35918923.863- 35918923.863 36255287.323 36255287.323- 36599123.890- 36599123.890 36950559.575 36950559.575- R-TRANSITIONS 60 59 Q-TRANSITIONS 60 VIBRATIONAL STATE 1 IS1 1 IS2 2 J = 0 -11090.026 J = 1 2339.237 3030.522- 8735.194- R-TRANSITIONS 1 0 1 -2 0 1 14120.5479 4 0.00000 0.81634 0.18366 0.11187 0.4333D-01 1 -3 0 1 19825.2203 4 0.00000 0.18366 0.81634 0.04955 0.5125D-01 Q-TRANSITIONS 1 1 -3 1 1 6395.9573 4 0.00000 1.22451 0.27549 0.03427 0.5028D-01 J = 2 etc... Q-TRANSITIONS 59 J = 60 18211339.134 18211339.134- 18730846.919- 18730846.919 19240221.882- 19240221.882 19739759.861 19739759.861- 20229675.717- 20229675.717 20710126.367 20710126.367- 21181227.019 21181227.019- 21643062.689 21643062.689- 22095696.224- 22095696.224 22539173.769- 22539173.769 22973528.373- 22973528.373 23398782.321 23398782.321- 23814948.591 23814948.591- 24222031.738- 24222031.738 24620028.387 24620028.387- 25008927.466 25008927.466- 25388710.232 25388710.232- 25759350.117 25759350.117- 26120812.403 26120812.403- 26473053.690 26473053.690- 26816021.124 26816021.124- 27149651.334- 27149651.334 27473868.977- 27473868.977 27788584.803 27788584.803- 28093693.055- 28093693.055 28389067.999 28389067.999- 28674559.217- 28674559.217 28949985.153 28949985.155- 29215124.073- 29215124.082 29469701.031 29469701.082- 29713368.398- 29713368.647 29945675.446 29945676.274- 30166017.980 30166019.319- 30373518.046- 30373573.529 30566665.325 30567260.023- 30741886.165- 30746163.742 30890128.360 30911286.990- 31005054.012- 31068141.807 31112817.038 31227556.254- 31248899.592- 31401604.248 31413065.877 31592124.408- 31595300.762- 31792135.356 31796465.508 32001943.570- 32012619.579- 32223593.446 32239231.575 32456213.579- 32475323.142- 32699099.401 32720168.050 32951660.243- 32973229.510- 33213384.041 33234124.787 33483814.131- 33502601.116- 33762535.675 33778515.886 34049169.819- 34061818.077- 34343373.806 34352530.134 34644845.271- 34650730.562- 34953329.105 34956537.952 35268625.398- 35270097.088- 35590597.169 35591567.311 35919176.716- 35921112.836- 36254369.624 36258894.275 36596255.674- 36605060.485- 36944986.316 36959739.927 R-TRANSITIONS 60 59 Q-TRANSITIONS 60 SUM OF STATES IS1,IS2 00 00 01 01 11 11 12 12 5.935 0.000 15.959 0.000 2.011 0.000 4.021 0.000 23.614 58.901 158.508 0.000 7.999 35.912 16.008 23.932 110.640 155.675 548.560 0.000 37.471 94.901 74.906 63.309 229.889 420.373 1295.995 0.000 77.843 256.217 155.785 170.723 477.576 751.103 2494.940 0.000 161.674 457.687 323.177 305.316 769.684 1334.278 4219.936 0.000 260.488 812.820 521.291 541.592 1230.939 1994.611 6523.182 0.000 416.459 1214.693 832.481 810.267 1737.277 2956.696 9432.988 0.000 587.557 1799.948 1175.768 1199.345 2430.642 3986.788 12953.449 0.000 821.738 2426.097 1642.647 1618.254 3157.660 5328.876 17065.331 0.000 1067.085 3241.463 2135.236 2159.918 4066.605 6710.913 21728.019 0.000 1373.654 4080.378 2746.011 2721.529 4987.773 8379.276 26882.365 0.000 1684.069 5092.501 3369.614 3393.462 6066.490 10045.921 32454.229 0.000 2047.354 6102.658 4092.937 4070.092 7130.019 11945.977 38358.436 0.000 2405.195 7253.578 4812.191 4833.734 8313.760 13796.652 44502.929 0.000 2803.236 8373.556 5604.300 5584.286 9453.740 15812.283 50792.860 0.000 3186.216 9592.612 6374.420 6392.751 10670.944 17732.840 57134.421 0.000 3594.892 10753.148 7187.348 7170.785 11819.125 19746.349 63438.228 0.000 3980.069 11969.134 7962.149 7976.917 13002.626 21627.635 69622.143 0.000 4376.869 13104.365 8751.205 8738.205 14098.400 23536.318 75613.459 0.000 4743.984 14255.501 9489.845 9501.147 15193.731 25288.244 81350.402 0.000 5110.761 15311.375 10219.052 10209.346 16190.787 27015.108 86782.985 0.000 5444.423 16351.639 10890.470 10898.706 17160.650 28574.566 91873.246 0.000 5768.839 17290.540 11535.401 11528.494 18029.823 30072.557 96594.962 0.000 6059.435 18192.059 12120.167 12125.893 18854.827 31405.213 100932.919 0.000 6335.158 18993.748 12668.314 12663.621 19583.614 32655.835 104881.861 0.000 6578.643 19745.828 13158.231 13162.034 20260.155 33753.133 108445.203 0.000 6804.602 20405.527 13607.505 13604.458 20849.891 34761.251 111633.624 0.000 7001.529 21011.442 14003.666 14006.081 21386.347 35634.522 114463.619 0.000 7180.620 21536.234 14359.837 14357.944 21848.245 36421.381 116956.085 0.000 7334.808 22008.996 14669.927 14671.396 22260.664 37094.949 119134.999 0.000 7472.453 22413.676 14943.760 14942.634 22611.729 37691.135 121026.231 0.000 7589.622 22771.806 15179.314 15180.169 22919.871 38195.891 122656.514 0.000 7692.451 23075.030 15383.965 15383.323 23179.398 38635.384 124052.585 0.000 7779.064 23339.015 15558.013 15558.490 23403.631 39003.677 125240.497 0.000 7853.891 23560.257 15707.000 15706.649 23590.621 39319.532 126245.100 0.000 7916.297 23749.981 15832.345 15832.600 23749.848 39581.682 127089.658 0.000 7969.434 23907.471 15938.196 15938.013 23881.395 39803.383 127795.613 0.000 8013.340 24040.649 16026.338 16026.469 23991.911 39985.724 128382.450 0.000 8050.224 24150.202 16099.851 16099.759 24082.410 40137.940 128867.654 0.000 8080.433 24241.649 16160.464 16160.528 24157.493 40262.053 129266.737 0.000 8105.494 24316.225 16210.438 16210.394 24218.457 40364.413 129593.323 0.000 8125.846 24377.727 16251.254 16251.284 24268.447 40447.181 129859.260 0.000 8142.534 24427.466 16284.546 16284.525 24308.703 40514.671 130074.763 0.000 8155.974 24468.021 16311.487 16311.501 24341.351 40568.800 130248.570 0.000 8166.874 24500.552 16333.242 16333.233 24367.430 40612.466 130388.094 0.000 8175.582 24526.794 16350.689 16350.695 24388.359 40647.207 130499.585 0.000 8182.569 24547.674 16364.642 16364.638 24404.944 40674.947 130588.271 0.000 8188.107 24564.346 16375.734 16375.737 24418.121 40696.840 130658.500 0.000 8192.507 24577.505 16384.522 16384.521 24428.479 40714.150 130713.866 0.000 8195.966 24587.909 16391.448 16391.449 24436.629 40727.702 130757.322 0.000 8198.688 24596.055 16396.885 16396.885 24442.984 40738.315 130791.279 0.000 8200.810 24602.434 16401.133 16401.134 24447.937 40746.556 130817.698 0.000 8202.464 24607.388 16404.439 16404.439 24451.767 40752.950 130838.162 0.000 8203.743 24611.231 16406.999 16406.999 24454.726 40757.874 130853.943 0.000 8204.731 24614.191 16408.974 16408.974 24456.994 40761.659 130866.060 0.000 8205.488 24616.466 16410.490 16410.490 24458.730 40764.549 130875.323 0.000 8206.068 24618.204 16411.649 16411.649 24460.050 40766.751 130882.373 0.000 8206.509 24619.528 16412.531 16412.531 24461.051 40768.418 130887.715 0.000 8206.843 24620.530 16413.199 16413.199 24461.806 40769.677 130891.745 0.000 8207.095 24621.286 16413.703 16413.703 24462.373 40770.622 130894.772 0.000 8207.285 24621.854 16414.082 16414.082 24332.522 40554.203 130199.956 0.000 8163.719 24491.156 16326.953 16326.953 ******************************************************************************** CATALOG ENTRY INFORMATION Catalog ID 58999 PARTITION FUNCTION 0.26039500D+06 1st INT CUTOFF (LOGSTR0) -0.10000000D+02 2nd INT CUTOFF (LOGSTR1) -0.10000000D+02 ******************************************************************************** TRANSITIONS ORDERED BY FREQUENCY 00 1 1 -3 1 0 1 1 -1 0 1 5105.535 0.006 10 0.0000 1.5000 0.0000 0.0658 1.370 01 1 1 3 1 0 1 1 1 0 1 5690.750 0.014 16 0.0002 1.3155 0.1124 0.1157 0.815 11 1 1 -3 1 0 1 1 -1 0 1 5758.751 0.027 6 0.0000 1.2896 0.0000 0.0439 0.266 12 1 1 -3 1 0 1 1 1 0 1 6395.957 0.050 4 0.0000 1.2245 0.2755 0.0343 0.291 01 1 3 6 3 1 1 3 5 2 1 6763.804 0.041 16 0.0402 0.5861 0.2860 0.0697 3.850 00 1 2 5 2 0 1 2 3 1 1 7063.849 0.010 6 0.0000 2.0353 0.0000 0.1008 2.616 01 1 9 12 6 4 1 9 11 5 4 7523.753 0.067 16 0.0721 0.4045 2.1084 0.0436 25.469 12 1 8 12 6 3 1 8 -11 5 3 7597.672 0.192 4 0.0000 1.1997 0.5695 0.0355 20.452 01 1 5 8 4 2 1 5 7 3 2 7783.737 0.045 16 0.0744 0.8097 0.7378 0.1187 8.887 01 1 7 10 5 3 1 7 9 4 3 8014.813 0.054 16 0.0852 0.6632 1.3653 0.0929 16.094 11 1 2 5 2 0 1 2 3 1 1 8090.318 0.028 2 0.0000 1.7614 0.0000 0.0388 1.539 12 1 10 -14 7 4 1 10 13 6 4 8213.419 0.316 4 0.0000 1.5228 1.0681 0.0451 31.080 12 1 12 16 8 5 1 12 -15 7 5 8451.349 0.429 4 0.0000 1.4079 1.7601 0.0368 43.900 01 1 2 5 2 0 1 2 3 1 1 8634.168 0.020 16 0.0041 1.4811 0.2343 0.2945 2.106 01 1 14 18 9 6 1 14 17 8 6 10254.654 0.136 16 0.0701 0.3242 2.9632 0.0400 59.237 12 1 2 5 2 0 1 2 -3 1 1 10273.837 0.089 4 0.0000 1.3441 0.3629 0.0953 1.630 00 1 3 -5 2 1 1 3 -3 1 2 10519.903 0.009 10 0.0000 2.6070 0.0000 0.4672 4.163 etc... 11 1 13 18 9 5 1 13 16 8 6 49524.107 0.112 2 0.0000 7.3531 0.0000 2.9587 52.082 00 1 25 -33 16 9 1 25 -31 15 10 49553.892 0.505 10 0.0000 19.9137 0.0000 5.9251 185.008 11 1 13 -9 4 9 1 12 -14 7 6 49557.635 0.108 6 0.0000 0.0242 0.0000 0.0328 44.123 12 1 23 32 16 8 1 23 -31 15 8 49566.159 2.904 4 0.0000 1.7773 0.6836 0.3061 159.348 00 1 12 -20 10 3 1 12 -18 9 4 49584.457 0.114 10 0.0000 5.1292 0.0000 10.9948 47.847 12 1 12 20 10 3 1 12 -18 9 4 49594.205 0.254 4 0.0000 5.1155 1.1927 4.4483 46.896 12 1 23 -31 15 8 1 23 29 14 9 49643.679 2.101 4 0.0000 16.5891 0.5712 2.9355 157.695 01 1 10 16 8 3 1 10 13 6 4 49807.472 0.151 16 0.3282 0.0234 0.0113 0.1004 32.827 00 1 14 -20 10 5 1 14 -18 9 6 49902.153 0.076 10 0.0000 7.9107 0.0000 14.1747 61.197 00 1 16 25 12 4 1 16 23 11 5 49947.435 0.241 6 0.0000 8.8397 0.0000 7.2271 80.357 program ERHAM V16g-R3 20 may 2013 *** date and time: 14 jun 2013 14:47:30