HCO RADICAL ! Wed Aug 4 14:54:39 1993 LINES REQUESTED = 9000 NUMBER OF PARAMETERS= 21 NUMBER OF ITERATIONS= -2 THRESHOLD FOR PARAMETER NORM=0.1760E-11 max (OBS-CALC)/ ERROR =0.1000E+07 ENERGY SORT OF WANG SUB-BLOCKS 1 INTERACTING VIBRATIONAL STATES WITH MULTI-SPIN 0.5 0.5 0.0 0.0 BLOCK - WT - SYM - V - TSP - N - other quanta (rel. to F=0 ) 1 1 0 0 0 -1.0 -0.5 1 1 1 0 0 -1.0 -0.5 1 1 0 0 1 0.0 0.5 1 1 1 0 1 0.0 0.5 1 1 0 0 2 0.0 -0.5 1 1 1 0 2 0.0 -0.5 1 1 0 0 3 1.0 0.5 1 1 1 0 3 1.0 0.5 2 1 2 0 0 -1.0 -0.5 2 1 3 0 0 -1.0 -0.5 2 1 2 0 1 0.0 0.5 2 1 3 0 1 0.0 0.5 2 1 2 0 2 0.0 -0.5 2 1 3 0 2 0.0 -0.5 2 1 2 0 3 1.0 0.5 2 1 3 0 3 1.0 0.5 Maximum Dimension for Hamiltonian = 56 PROLATE ROTOR ORDERING TO K= 0 13 PARAMETERS - A.PRIORI ERROR 1 120000000 0.3825247819300E+03 0.10000E+34 2 120010000 0.1739593088573E+02 0.10000E+34 3 120040000 0.4235414612205E+01 0.10000E+34 4 20010000 0.4170326964741E+00 0.10000E+34 5 10010000 0.1163364447131E+05 0.10000E+34 6 10020000 0.1901592146919E+02 0.10000E+34 7 10030000-0.2057699374200E+03 0.10000E+34 8 10610000 0.2009184559748E+03 0.10000E+34 9 1001000-0.2491413043135E+00 0.10000E+34 10 10011000-0.5286709912552E+02 0.10000E+34 11 10012000 0.4255945483317E+00 0.10000E+34 12 10000 0.7293659078194E+06 0.10000E+34 13 20000 0.4478789183159E+05 0.10000E+34 14 30000 0.4193064709519E+05 0.10000E+34 15 200-0.1182070968339E+00 0.10000E+34 16 1100-0.4561177383420E+00 0.10000E+34 17 2000-0.9198642481912E+03 0.10000E+00 18 40100-0.1158345797236E-01 0.10000E+34 19 41000-0.4587168737105E+01 0.10000E+34 20 1200 0.2322535202975E-03 0.10000E+34 21 2100-0.1475246731928E-01 0.10000E+34 LINE,BLKU,INDXU,BLKL,INDXL,QUANTUM NUMBERS ENERGY EXP. ERROR WEIGHTS 1 6 2 3 1: 1 0 1 2 2 0 0 0 1 1 0 1 86670.7600 0.0600 1.0000 2 4 2 1 1: 1 0 1 2 1 0 0 0 1 0 0 1 86708.3600 0.0400 1.0000 3 2 2 3 1: 1 0 1 1 0 0 0 0 1 1 0 1 86805.7800 0.1001 1.0000 4 4 4 3 1: 1 0 1 1 1 0 0 0 1 1 0 1 86777.4600 0.0400 1.0000 5 10 3 7 1: 3 0 3 4 4 2 0 2 3 3 0 3 260060.3290 0.1001 1.0000 6 8 5 5 2: 3 0 3 4 3 2 0 2 3 2 0 3 260082.1920 0.1001 1.0000 7 8 9 5 5: 3 0 3 3 3 2 0 2 2 2 0 3 260133.5860 0.1001 1.0000 8 6 9 3 4: 3 0 3 3 2 2 0 2 2 1 0 3 260155.7690 0.1001 1.0000 9 10 1 7 3: 3 1 3 4 4 2 1 2 3 3 0 3 255341.1220 0.1001 1.0000 10 8 3 5 4: 3 1 3 4 3 2 1 2 3 2 0 3 255358.4300 0.1001 1.0000 11 8 7 5 7: 3 1 3 3 3 2 1 2 2 2 0 3 256875.3470 0.1001 1.0000 12 6 7 3 6: 3 1 3 3 2 2 1 2 2 1 0 3 256892.1710 0.1001 1.0000 13 9 2 8 1: 3 1 2 4 4 2 1 1 3 3 0 3 263911.6590 0.1001 1.0000 14 7 5 6 3: 3 1 2 4 3 2 1 1 3 2 0 3 263927.2150 0.1001 1.0000 15 7 8 6 5: 3 1 2 3 3 2 1 1 2 2 0 3 265334.3250 0.1001 1.0000 16 5 9 4 5: 3 1 2 3 2 2 1 1 2 1 0 3 265348.6610 0.1001 1.0000 17 10 4 7 2: 3 2 1 4 4 2 2 0 3 3 0 3 258202.0560 0.1001 1.0000 18 8 6 5 3: 3 2 1 4 3 2 2 0 3 2 0 3 258216.0960 0.1001 1.0000 19 8 10 5 6: 3 2 1 3 3 2 2 0 2 2 0 3 264343.2200 0.1001 1.0000 20 6 10 3 5: 3 2 1 3 2 2 2 0 2 1 0 3 264350.1210 0.1001 1.0000 21 9 1 8 2: 3 2 2 4 4 2 2 1 3 3 0 3 258166.5830 0.1001 1.0000 22 7 4 6 4: 3 2 2 4 3 2 2 1 3 2 0 3 258180.4600 0.1001 1.0000 23 7 7 6 6: 3 2 2 3 3 2 2 1 2 2 0 3 264309.0810 0.1001 1.0000 24 5 8 4 6: 3 2 2 3 2 2 2 1 2 1 0 3 264316.0030 0.1001 1.0000 25 11 1 10 3: 4 0 4 5 5 3 0 3 4 4 0 3 346708.4930 0.1001 1.0000 26 9 4 8 5: 4 0 4 5 4 3 0 3 4 3 0 3 346725.1720 0.1001 1.0000 27 9 9 8 9: 4 0 4 4 4 3 0 3 3 3 0 3 346787.8980 0.1001 1.0000 28 7 10 6 9: 4 0 4 4 3 3 0 3 3 2 0 3 346804.5970 0.1001 1.0000 29 11 4 10 1: 4 1 4 5 5 3 1 3 4 4 0 3 340798.2160 0.1001 1.0000 30 9 7 8 3: 4 1 4 5 4 3 1 3 4 3 0 3 340812.0780 0.1001 1.0000 31 9 12 8 7: 4 1 4 4 4 3 1 3 3 3 0 3 341671.5860 0.1001 1.0000 32 7 13 6 7: 4 1 4 4 3 3 1 3 3 2 0 3 341685.2560 0.1001 1.0000 33 12 1 9 2: 4 1 3 5 5 3 1 2 4 4 0 3 352204.2570 0.1001 1.0000 34 10 5 7 5: 4 1 3 5 4 3 1 2 4 3 0 3 352214.8610 0.1001 1.0000 35 10 9 7 8: 4 1 3 4 4 3 1 2 3 3 0 3 352967.8850 0.1001 1.0000 36 8 11 5 9: 4 1 3 4 3 3 1 2 3 2 0 3 352978.0600 0.1001 1.0000 37 11 2 10 4: 4 2 2 5 5 3 2 1 4 4 0 3 345743.9720 0.1001 1.0000 38 9 5 8 6: 4 2 2 5 4 3 2 1 4 3 0 3 345752.0370 0.1001 1.0000 39 9 10 8 10: 4 2 2 4 4 3 2 1 3 3 0 3 348864.2100 0.1001 1.0000 40 7 11 6 10: 4 2 2 4 3 3 2 1 3 2 0 3 348870.2640 0.1001 1.0000 41 12 3 9 1: 4 2 3 5 5 3 2 2 4 4 0 3 345655.5820 0.1001 1.0000 42 10 7 7 4: 4 2 3 5 4 3 2 2 4 3 0 3 345663.5840 0.1001 1.0000 43 10 11 7 7: 4 2 3 4 4 3 2 2 3 3 0 3 348778.1740 0.1001 1.0000 44 8 13 5 8: 4 2 3 4 3 3 2 2 3 2 0 3 348784.2140 0.1001 1.0000 45 11 5 10 2: 4 3 2 5 5 3 3 1 4 4 0 3 344177.5580 0.1001 0.5000 46 12 2 9 3: 4 3 1 5 5 3 3 0 4 4 0 3 344177.5580 0.1001 0.5000 Line Blended with 45 47 9 8 8 4: 4 3 2 5 4 3 3 1 4 3 0 3 344186.0670 0.1001 0.5000 48 10 6 7 6: 4 3 1 5 4 3 3 0 4 3 0 3 344186.0670 0.1001 0.5000 Line Blended with 47 49 7 14 6 8: 4 3 2 4 3 3 3 1 3 2 0 3 351485.3160 0.1001 0.5000 50 8 12 5 10: 4 3 1 4 3 3 3 0 3 2 0 3 351485.3160 0.1001 0.5000 Line Blended with 49 51 9 13 8 8: 4 3 2 4 4 3 3 1 3 3 0 3 351482.8480 0.1001 0.5000 52 10 10 7 9: 4 3 1 4 4 3 3 0 3 3 0 3 351482.8480 0.1001 0.5000 Line Blended with 51 53 8 7 9 9: 3 1 3 3 3 4 0 4 4 4 0 3 328009.8060 0.1001 1.0000 54 6 7 7 10: 3 1 3 3 2 4 0 4 4 3 0 3 328085.5680 0.1001 1.0000 55 10 1 11 1: 3 1 3 4 4 4 0 4 5 5 0 3 331180.4570 0.1001 1.0000 56 8 3 9 4: 3 1 3 4 3 4 0 4 5 4 0 3 331259.7050 0.1001 1.0000 57 9 12 12 14: 4 1 4 4 4 5 0 5 5 5 0 3 236286.6540 0.1001 1.0000 58 7 13 10 16: 4 1 4 4 3 5 0 5 5 4 0 3 236363.2800 0.1001 1.0000 59 11 4 14 4: 4 1 4 5 5 5 0 5 6 6 0 3 238668.3470 0.1001 1.0000 60 9 7 12 8: 4 1 4 5 4 5 0 5 6 5 0 3 238748.7770 0.1001 1.0000 61 12 11 13 13: 5 1 5 5 5 6 0 6 6 6 0 3 143080.0250 0.1001 1.0000 62 10 13 11 16: 5 1 5 5 4 6 0 6 6 5 0 3 143161.6760 0.1001 1.0000 63 14 1 15 1: 5 1 5 6 6 6 0 6 7 7 0 3 144956.6790 0.1001 1.0000 64 12 5 13 6: 5 1 5 6 5 6 0 6 7 6 0 3 145042.0540 0.1001 1.0000 65 20 24 17 22: 9 0 9 9 9 8 1 8 8 8 0 3 143985.5600 0.1001 1.0000 66 18 30 15 27: 9 0 9 9 8 8 1 8 8 7 0 3 144138.2700 0.1001 1.0000 67 22 6 19 6: 9 0 9 10 10 8 1 8 9 9 0 3 143191.1990 0.1001 1.0000 68 20 14 17 13: 9 0 9 10 9 8 1 8 9 8 0 3 143340.3360 0.1001 1.0000 69 21 21 20 19: 10 0 10 10 10 9 1 9 9 9 0 3 242117.0590 0.1001 1.0000 70 19 28 18 25: 10 0 10 10 9 9 1 9 9 8 0 3 242181.5590 0.1001 1.0000 71 23 1 22 1: 10 0 10 11 11 9 1 9 10 10 0 3 241420.8800 0.1001 1.0000 72 21 10 20 9: 10 0 10 11 10 9 1 9 10 9 0 3 241481.8910 0.1001 1.0000 73 24 29 21 27: 11 0 11 11 11 10 1 10 10 10 0 3 341210.0570 0.1001 1.0000 74 22 37 19 34: 11 0 11 11 10 10 1 10 10 9 0 3 341242.6070 0.1001 1.0000 75 26 7 23 7: 11 0 11 12 12 10 1 10 11 11 0 3 340634.9550 0.1001 1.0000 76 24 17 21 16: 11 0 11 12 11 10 1 10 11 10 0 3 340664.0200 0.1001 1.0000 #### EXP.FREQ. - CALC.FREQ. - DIFF. - EXP.ERR.- EST.ERR.-AVG. CALC.FREQ. - DIFF. - WT. 1: 1 0 1 2 2 0 0 0 1 1 1 86670.76000 86670.78198 -0.02198 0.06000 0.00000 2: 1 0 1 2 1 0 0 0 1 0 1 86708.36000 86708.18668 0.17332 0.04000 0.00000 3: 1 0 1 1 0 0 0 0 1 1 1 86805.78000 86805.62964 0.15036 0.10010 0.00000 4: 1 0 1 1 1 0 0 0 1 1 1 86777.46000 86777.50301 -0.04301 0.04000 0.00000 5: 3 0 3 4 4 2 0 2 3 3 3 260060.32900 260060.44934 -0.12034 0.10010 0.00000 6: 3 0 3 4 3 2 0 2 3 2 3 260082.19200 260082.01834 0.17366 0.10010 0.00000 7: 3 0 3 3 3 2 0 2 2 2 3 260133.58600 260133.80773 -0.22173 0.10010 0.00000 8: 3 0 3 3 2 2 0 2 2 1 3 260155.76900 260155.79174 -0.02274 0.10010 0.00000 9: 3 1 3 4 4 2 1 2 3 3 3 255341.12200 255341.13292 -0.01092 0.10010 0.00000 10: 3 1 3 4 3 2 1 2 3 2 3 255358.43000 255358.11838 0.31162 0.10010 0.00000 11: 3 1 3 3 3 2 1 2 2 2 3 256875.34700 256875.70938 -0.36238 0.10010 0.00000 12: 3 1 3 3 2 2 1 2 2 1 3 256892.17100 256892.11815 0.05285 0.10010 0.00000 13: 3 1 2 4 4 2 1 1 3 3 3 263911.65900 263911.64281 0.01619 0.10010 0.00000 14: 3 1 2 4 3 2 1 1 3 2 3 263927.21500 263926.98707 0.22793 0.10010 0.00000 15: 3 1 2 3 3 2 1 1 2 2 3 265334.32500 265334.60128 -0.27628 0.10010 0.00000 16: 3 1 2 3 2 2 1 1 2 1 3 265348.66100 265348.73989 -0.07889 0.10010 0.00000 17: 3 2 1 4 4 2 2 0 3 3 3 258202.05600 258201.99494 0.06106 0.10010 0.00000 18: 3 2 1 4 3 2 2 0 3 2 3 258216.09600 258215.87675 0.21925 0.10010 0.00000 19: 3 2 1 3 3 2 2 0 2 2 3 264343.22000 264343.44108 -0.22108 0.10010 0.00000 20: 3 2 1 3 2 2 2 0 2 1 3 264350.12100 264350.14856 -0.02756 0.10010 0.00000 21: 3 2 2 4 4 2 2 1 3 3 3 258166.58300 258166.49636 0.08664 0.10010 0.00000 22: 3 2 2 4 3 2 2 1 3 2 3 258180.46000 258180.39009 0.06991 0.10010 0.00000 23: 3 2 2 3 3 2 2 1 2 2 3 264309.08100 264309.24527 -0.16427 0.10010 0.00000 24: 3 2 2 3 2 2 2 1 2 1 3 264316.00300 264315.93811 0.06489 0.10010 0.00000 25: 4 0 4 5 5 3 0 3 4 4 3 346708.49300 346708.60393 -0.11093 0.10010 0.00000 26: 4 0 4 5 4 3 0 3 4 3 3 346725.17200 346725.02017 0.15183 0.10010 0.00000 27: 4 0 4 4 4 3 0 3 3 3 3 346787.89800 346788.05518 -0.15718 0.10010 0.00000 28: 4 0 4 4 3 3 0 3 3 2 3 346804.59700 346804.59670 0.00030 0.10010 0.00000 29: 4 1 4 5 5 3 1 3 4 4 3 340798.21600 340798.22132 -0.00532 0.10010 0.00000 30: 4 1 4 5 4 3 1 3 4 3 3 340812.07800 340811.75412 0.32388 0.10010 0.00000 31: 4 1 4 4 4 3 1 3 3 3 3 341671.58600 341671.88335 -0.29735 0.10010 0.00000 32: 4 1 4 4 3 3 1 3 3 2 3 341685.25600 341685.22635 0.02965 0.10010 0.00000 33: 4 1 3 5 5 3 1 2 4 4 3 352204.25700 352204.26247 -0.00547 0.10010 0.00000 34: 4 1 3 5 4 3 1 2 4 3 3 352214.86100 352214.68102 0.17998 0.10010 0.00000 35: 4 1 3 4 4 3 1 2 3 3 3 352967.88500 352968.07302 -0.18802 0.10010 0.00000 36: 4 1 3 4 3 3 1 2 3 2 3 352978.06000 352978.07778 -0.01778 0.10010 0.00000 37: 4 2 2 5 5 3 2 1 4 4 3 345743.97200 345743.95417 0.01783 0.10010 0.00000 38: 4 2 2 5 4 3 2 1 4 3 3 345752.03700 345751.89406 0.14294 0.10010 0.00000 39: 4 2 2 4 4 3 2 1 3 3 3 348864.21000 348864.31819 -0.10819 0.10010 0.00000 40: 4 2 2 4 3 3 2 1 3 2 3 348870.26400 348870.28094 -0.01694 0.10010 0.00000 41: 4 2 3 5 5 3 2 2 4 4 3 345655.58200 345655.53416 0.04784 0.10010 0.00000 42: 4 2 3 5 4 3 2 2 4 3 3 345663.58400 345663.49158 0.09242 0.10010 0.00000 43: 4 2 3 4 4 3 2 2 3 3 3 348778.17400 348778.29737 -0.12337 0.10010 0.00000 44: 4 2 3 4 3 3 2 2 3 2 3 348784.21400 348784.24253 -0.02853 0.10010 0.00000 45: 4 3 2 5 5 3 3 1 4 4 3 344177.55800 344177.41088 0.14712 0.10010 0.00000 344177.46173 0.09627 0.5000 46: 4 3 1 5 5 3 3 0 4 4 3 344177.55800 344177.51257 0.04543 0.10010 0.00000 344177.46173 0.09627 0.5000 47: 4 3 2 5 4 3 3 1 4 3 3 344186.06700 344186.01735 0.04965 0.10010 0.00000 344186.06817 -0.00117 0.5000 48: 4 3 1 5 4 3 3 0 4 3 3 344186.06700 344186.11900 -0.05200 0.10010 0.00000 344186.06817 -0.00117 0.5000 49: 4 3 2 4 3 3 3 1 3 2 3 351485.31600 351485.23728 0.07872 0.10010 0.00000 351485.28596 0.03004 0.5000 50: 4 3 1 4 3 3 3 0 3 2 3 351485.31600 351485.33464 -0.01864 0.10010 0.00000 351485.28596 0.03004 0.5000 51: 4 3 2 4 4 3 3 1 3 3 3 351482.84800 351482.94105 -0.09305 0.10010 0.00000 351482.98971 -0.14171 0.5000 52: 4 3 1 4 4 3 3 0 3 3 3 351482.84800 351483.03836 -0.19036 0.10010 0.00000 351482.98971 -0.14171 0.5000 53: 3 1 3 3 3 4 0 4 4 4 3 328009.80600 328011.75034 -1.94434 0.10010 0.00000 54: 3 1 3 3 2 4 0 4 4 3 3 328085.56800 328085.61133 -0.04333 0.10010 0.00000 55: 3 1 3 4 4 4 0 4 5 5 3 331180.45700 331180.42394 0.03306 0.10010 0.00000 56: 3 1 3 4 3 4 0 4 5 4 3 331259.70500 331257.79809 1.90691 0.10010 0.00000 57: 4 1 4 4 4 5 0 5 5 5 3 236286.65400 236288.83436 -2.18036 0.10010 0.00000 58: 4 1 4 4 3 5 0 5 5 4 3 236363.28000 236363.33705 -0.05705 0.10010 0.00000 59: 4 1 4 5 5 5 0 5 6 6 3 238668.34700 238668.28350 0.06350 0.10010 0.00000 60: 4 1 4 5 4 5 0 5 6 5 3 238748.77700 238746.52208 2.25492 0.10010 0.00000 61: 5 1 5 5 5 6 0 6 6 6 3 143080.02500 143082.41062 -2.38562 0.10010 0.00000 62: 5 1 5 5 4 6 0 6 6 5 3 143161.67600 143161.73129 -0.05529 0.10010 0.00000 63: 5 1 5 6 6 6 0 6 7 7 3 144956.67900 144956.55804 0.12096 0.10010 0.00000 64: 5 1 5 6 5 6 0 6 7 6 3 145042.05400 145039.69724 2.35676 0.10010 0.00000 65: 9 0 9 9 9 8 1 8 8 8 3 143985.56000 143987.19398 -1.63398 0.10010 0.00000 66: 9 0 9 9 8 8 1 8 8 7 3 144138.27000 144138.21556 0.05444 0.10010 0.00000 67: 9 0 9 10 10 8 1 8 9 9 3 143191.19900 143191.25583 -0.05683 0.10010 0.00000 68: 9 0 9 10 9 8 1 8 9 8 3 143340.33600 143338.56941 1.76659 0.10010 0.00000 69: 10 0 10 10 10 9 1 9 9 9 3 242117.05900 242118.39958 -1.34058 0.10010 0.00000 70: 10 0 10 10 9 9 1 9 9 8 3 242181.55900 242181.60262 -0.04362 0.10010 0.00000 71: 10 0 10 11 11 9 1 9 10 10 3 241420.88000 241420.97790 -0.09790 0.10010 0.00000 72: 10 0 10 11 10 9 1 9 10 9 3 241481.89100 241480.43972 1.45128 0.10010 0.00000 73: 11 0 11 11 11 10 1 10 10 10 3 341210.05700 341210.82905 -0.77205 0.10010 0.00000 74: 11 0 11 11 10 10 1 10 10 9 3 341242.60700 341242.64719 -0.04019 0.10010 0.00000 75: 11 0 11 12 12 10 1 10 11 11 3 340634.95500 340635.03215 -0.07715 0.10010 0.00000 76: 11 0 11 12 11 10 1 10 11 10 3 340664.02000 340663.15943 0.86057 0.10010 0.00000 NORMALIZED DIAGONAL: 1 0.10000E+01 2 0.97458E+00 3 0.96756E+00 4 0.96537E+00 5 0.98018E+00 6 0.86843E+00 7 0.77767E+00 8 0.80696E+00 9 0.30530E+00 10 0.36508E+00 11 0.96156E-01 12 0.87239E+00 13 0.42516E+00 14 0.69069E+00 15 0.12796E+00 16 0.29722E+00 17 0.20193E+00 18 0.55055E-01 19 0.13812E-02 20 0.24044E-01 21 0.25538E+00 NEW PARAMETER - EST. ERROR - CHANGE THIS ITER. 1 120000000 388.359 0.138 5.834 2 120010000 17.398 0.158 0.002 3 120040000 4.235 0.082 0.000 4 20010000 0.416 0.101 -0.001 5 10010000 eps-aa 11633.62 0.61 -0.03 6 10020000 eps-bb 19.014 0.065 -0.002 7 10030000 eps-cc -205.776 0.065 -0.006 8 10610000 eps-ab 200.92 1.16 0.00 9 1001000 -0.2483 0.0257 0.0008 10 10011000 -52.859 0.226 0.008 11 10012000 0.4250 0.0180 -0.0005 12 10000 A 729365.907 0.127 -0.001 13 20000 B 44787.89 0.53 0.00 14 30000 C 41930.65 0.53 0.00 15 200 -DJ -0.11820 0.00032 0.00000 16 1100 -DJK -0.4561 0.0047 0.0000 17 2000 -DK -919.864 0.100 0.000 18 40100 -delJ -0.011585 0.000215 -0.000001 19 41000 -delK -4.587 0.265 0.000 20 1200 HJJK 0.000232 0.000143 -0.000001 21 2100 HJKK -0.014756 0.000278 -0.000003 MICROWAVE AVG = 0.12257E-02 MHz, IR AVG = 0. MICROWAVE RMS = 0.75146 MHz, IR RMS = 0. END OF ITERATION 1 OLD, NEW RMS ERROR= 7.5226 0.74456 #### EXP.FREQ. - CALC.FREQ. - DIFF. - EXP.ERR.- EST.ERR.-AVG. CALC.FREQ. - DIFF. - WT. 1: 1 0 1 2 2 0 0 0 1 1 1 86670.76000 86670.77983 -0.01983 0.06000 0.01816 2: 1 0 1 2 1 0 0 0 1 0 1 86708.36000 86708.31157 0.04843 0.04000 0.01350 3: 1 0 1 1 0 0 0 0 1 1 1 86805.78000 86805.63284 0.14716 0.10010 0.06042 4: 1 0 1 1 1 0 0 0 1 1 1 86777.46000 86777.38009 0.07991 0.04000 0.02912 5: 3 0 3 4 4 2 0 2 3 3 3 260060.32900 260060.44713 -0.11813 0.10010 0.02765 6: 3 0 3 4 3 2 0 2 3 2 3 260082.19200 260082.26033 -0.06833 0.10010 0.02670 7: 3 0 3 3 3 2 0 2 2 2 3 260133.58600 260133.56527 0.02073 0.10010 0.02590 8: 3 0 3 3 2 2 0 2 2 1 3 260155.76900 260155.79353 -0.02453 0.10010 0.02657 9: 3 1 3 4 4 2 1 2 3 3 3 255341.12200 255341.13183 -0.00983 0.10010 0.03197 10: 3 1 3 4 3 2 1 2 3 2 3 255358.43000 255358.44450 -0.01450 0.10010 0.03428 11: 3 1 3 3 3 2 1 2 2 2 3 256875.34700 256875.38086 -0.03386 0.10010 0.04254 12: 3 1 3 3 2 2 1 2 2 1 3 256892.17100 256892.12075 0.05025 0.10010 0.04021 13: 3 1 2 4 4 2 1 1 3 3 3 263911.65900 263911.64282 0.01618 0.10010 0.03549 14: 3 1 2 4 3 2 1 1 3 2 3 263927.21500 263927.27442 -0.05942 0.10010 0.03603 15: 3 1 2 3 3 2 1 1 2 2 3 265334.32500 265334.31146 0.01354 0.10010 0.04738 16: 3 1 2 3 2 2 1 1 2 1 3 265348.66100 265348.74132 -0.08032 0.10010 0.04618 17: 3 2 1 4 4 2 2 0 3 3 3 258202.05600 258201.99568 0.06032 0.10010 0.05359 18: 3 2 1 4 3 2 2 0 3 2 3 258216.09600 258216.07241 0.02359 0.10010 0.05520 19: 3 2 1 3 3 2 2 0 2 2 3 264343.22000 264343.24775 -0.02775 0.10010 0.05812 20: 3 2 1 3 2 2 2 0 2 1 3 264350.12100 264350.14427 -0.02327 0.10010 0.05793 21: 3 2 2 4 4 2 2 1 3 3 3 258166.58300 258166.49705 0.08595 0.10010 0.05345 22: 3 2 2 4 3 2 2 1 3 2 3 258180.46000 258180.58571 -0.12571 0.10010 0.05487 23: 3 2 2 3 3 2 2 1 2 2 3 264309.08100 264309.05191 0.02909 0.10010 0.05814 24: 3 2 2 3 2 2 2 1 2 1 3 264316.00300 264315.93381 0.06919 0.10010 0.05799 25: 4 0 4 5 5 3 0 3 4 4 3 346708.49300 346708.60184 -0.10884 0.10010 0.02779 26: 4 0 4 5 4 3 0 3 4 3 3 346725.17200 346725.25917 -0.08717 0.10010 0.02720 27: 4 0 4 4 4 3 0 3 3 3 3 346787.89800 346787.81597 0.08203 0.10010 0.02902 28: 4 0 4 4 3 3 0 3 3 2 3 346804.59700 346804.59860 -0.00160 0.10010 0.02939 29: 4 1 4 5 5 3 1 3 4 4 3 340798.21600 340798.22002 -0.00402 0.10010 0.04229 30: 4 1 4 5 4 3 1 3 4 3 3 340812.07800 340812.05732 0.02068 0.10010 0.04287 31: 4 1 4 4 4 3 1 3 3 3 3 341671.58600 341671.57957 0.00643 0.10010 0.04303 32: 4 1 4 4 3 3 1 3 3 2 3 341685.25600 341685.22875 0.02725 0.10010 0.04215 33: 4 1 3 5 5 3 1 2 4 4 3 352204.25700 352204.26193 -0.00493 0.10010 0.04339 34: 4 1 3 5 4 3 1 2 4 3 3 352214.86100 352214.89833 -0.03733 0.10010 0.04280 35: 4 1 3 4 4 3 1 2 3 3 3 352967.88500 352967.85441 0.03059 0.10010 0.04154 36: 4 1 3 4 3 3 1 2 3 2 3 352978.06000 352978.07867 -0.01867 0.10010 0.04159 37: 4 2 2 5 5 3 2 1 4 4 3 345743.97200 345743.95477 0.01723 0.10010 0.05543 38: 4 2 2 5 4 3 2 1 4 3 3 345752.03700 345752.01626 0.02074 0.10010 0.05544 39: 4 2 2 4 4 3 2 1 3 3 3 348864.21000 348864.19477 0.01523 0.10010 0.05586 40: 4 2 2 4 3 3 2 1 3 2 3 348870.26400 348870.28258 -0.01858 0.10010 0.05617 41: 4 2 3 5 5 3 2 2 4 4 3 345655.58200 345655.53465 0.04735 0.10010 0.05562 42: 4 2 3 5 4 3 2 2 4 3 3 345663.58400 345663.61371 -0.02971 0.10010 0.05536 43: 4 2 3 4 4 3 2 2 3 3 3 348778.17400 348778.17385 0.00015 0.10010 0.05542 44: 4 2 3 4 3 3 2 2 3 2 3 348784.21400 348784.24411 -0.03011 0.10010 0.05564 45: 4 3 2 5 5 3 3 1 4 4 3 344177.55800 344177.41107 0.14693 0.10010 0.07748 344177.46191 0.09609 0.5000 46: 4 3 1 5 5 3 3 0 4 4 3 344177.55800 344177.51275 0.04525 0.10010 0.07748 344177.46191 0.09609 0.5000 47: 4 3 2 5 4 3 3 1 4 3 3 344186.06700 344186.12230 -0.05530 0.10010 0.07711 344186.17313 -0.10613 0.5000 48: 4 3 1 5 4 3 3 0 4 3 3 344186.06700 344186.22395 -0.15695 0.10010 0.07711 344186.17313 -0.10613 0.5000 49: 4 3 2 4 3 3 3 1 3 2 3 351485.31600 351485.23294 0.08306 0.10010 0.07711 351485.28162 0.03438 0.5000 50: 4 3 1 4 3 3 3 0 3 2 3 351485.31600 351485.33030 -0.01430 0.10010 0.07711 351485.28162 0.03438 0.5000 51: 4 3 2 4 4 3 3 1 3 3 3 351482.84800 351482.83881 0.00919 0.10010 0.07708 351482.88746 -0.03946 0.5000 52: 4 3 1 4 4 3 3 0 3 3 3 351482.84800 351482.93612 -0.08812 0.10010 0.07708 351482.88746 -0.03946 0.5000 53: 3 1 3 3 3 4 0 4 4 4 3 328009.80600 328009.64888 0.15712 0.10010 0.06509 54: 3 1 3 3 2 4 0 4 4 3 3 328085.56800 328085.61068 -0.04268 0.10010 0.06179 55: 3 1 3 4 4 4 0 4 5 5 3 331180.45700 331180.42274 0.03426 0.10010 0.05852 56: 3 1 3 4 3 4 0 4 5 4 3 331259.70500 331259.90156 -0.19656 0.10010 0.05797 57: 4 1 4 4 4 5 0 5 5 5 3 236286.65400 236286.64699 0.00701 0.10010 0.05378 58: 4 1 4 4 3 5 0 5 5 4 3 236363.28000 236363.33660 -0.05660 0.10010 0.04785 59: 4 1 4 5 5 5 0 5 6 6 3 238668.34700 238668.28281 0.06419 0.10010 0.04520 60: 4 1 4 5 4 5 0 5 6 5 3 238748.77700 238748.71048 0.06652 0.10010 0.05235 61: 5 1 5 5 5 6 0 6 6 6 3 143080.02500 143080.04287 -0.01787 0.10010 0.06285 62: 5 1 5 5 4 6 0 6 6 5 3 143161.67600 143161.73089 -0.05489 0.10010 0.05623 63: 5 1 5 6 6 6 0 6 7 7 3 144956.67900 144956.55762 0.12138 0.10010 0.04155 64: 5 1 5 6 5 6 0 6 7 6 3 145042.05400 145042.06547 -0.01147 0.10010 0.05899 65: 9 0 9 9 9 8 1 8 8 8 3 143985.56000 143985.52673 0.03327 0.10010 0.08049 66: 9 0 9 9 8 8 1 8 8 7 3 144138.27000 144138.21508 0.05492 0.10010 0.07933 67: 9 0 9 10 10 8 1 8 9 9 3 143191.19900 143191.25585 -0.05685 0.10010 0.05290 68: 9 0 9 10 9 8 1 8 9 8 3 143340.33600 143340.23731 0.09869 0.10010 0.07335 69: 10 0 10 10 10 9 1 9 9 9 3 242117.05900 242117.14669 -0.08769 0.10010 0.05365 70: 10 0 10 10 9 9 1 9 9 8 3 242181.55900 242181.60282 -0.04382 0.10010 0.04894 71: 10 0 10 11 11 9 1 9 10 10 3 241420.88000 241420.97777 -0.09777 0.10010 0.04825 72: 10 0 10 11 10 9 1 9 10 9 3 241481.89100 241481.69268 0.19832 0.10010 0.04524 73: 11 0 11 11 11 10 1 10 10 10 3 341210.05700 341210.10232 -0.04532 0.10010 0.06315 74: 11 0 11 11 10 10 1 10 10 9 3 341242.60700 341242.64742 -0.04042 0.10010 0.06240 75: 11 0 11 12 12 10 1 10 11 11 3 340634.95500 340635.03184 -0.07684 0.10010 0.06037 76: 11 0 11 12 11 10 1 10 11 10 3 340664.02000 340663.88605 0.13395 0.10010 0.05811 NORMALIZED DIAGONAL: 1 0.10000E+01 2 0.97398E+00 3 0.96753E+00 4 0.96523E+00 5 0.98005E+00 6 0.86904E+00 7 0.77785E+00 8 0.80736E+00 9 0.30551E+00 10 0.36516E+00 11 0.96221E-01 12 0.87241E+00 13 0.42516E+00 14 0.69069E+00 15 0.12796E+00 16 0.29721E+00 17 0.20193E+00 18 0.55055E-01 19 0.13812E-02 20 0.24043E-01 21 0.25538E+00 NEW PARAMETER - EST. ERROR - CHANGE THIS ITER. 1 120000000 388.323 0.137 -0.036 2 120010000 17.396 0.158 -0.002 3 120040000 4.235 0.082 0.000 4 20010000 0.417 0.101 0.001 5 10010000 eps-aa 11633.64 0.61 0.03 6 10020000 eps-bb 19.016 0.065 0.002 7 10030000 eps-cc -205.770 0.065 0.006 8 10610000 eps-ab 200.92 1.16 0.00 9 1001000 -0.2491 0.0257 -0.0008 10 10011000 -52.867 0.226 -0.008 11 10012000 0.4256 0.0180 0.0005 12 10000 A 729365.908 0.127 0.001 13 20000 B 44787.89 0.53 0.00 14 30000 C 41930.65 0.53 0.00 15 200 -DJ -0.11821 0.00032 0.00000 16 1100 -DJK -0.4561 0.0047 0.0000 17 2000 -DK -919.864 0.100 0.000 18 40100 -delJ -0.011583 0.000215 0.000001 19 41000 -delK -4.587 0.265 0.000 20 1200 HJJK 0.000232 0.000143 0.000001 21 2100 HJKK -0.014752 0.000278 0.000003 MICROWAVE AVG = 0.12682E-02 MHz, IR AVG = 0. MICROWAVE RMS = 0.70444E-01 MHz, IR RMS = 0. END OF ITERATION 2 OLD, NEW RMS ERROR= 0.74827 0.74730 1 1 1.000000 1 2 -0.162652 1 3 -0.031968 1 4 0.182383 1 5 -0.480414 1 6 -0.197601 1 7 -0.138517 1 8 0.089479 1 9 -0.057862 1 10 0.397076 1 11 -0.385284 1 12 -0.032830 1 13 -0.004983 1 14 0.006115 1 15 -0.016267 1 16 0.020093 1 17 -0.000017 1 18 0.001393 1 19 0.005391 1 20 -0.021275 1 21 0.003234 2 1 -0.162652 2 2 1.000000 2 3 0.007942 2 4 0.181260 2 5 0.007235 2 6 0.041379 2 7 0.011176 2 8 0.051064 2 9 0.007943 2 10 0.017631 2 11 -0.018933 2 12 -0.041952 2 13 -0.008936 2 14 0.006134 2 15 0.048836 2 16 0.044991 2 17 -0.000014 2 18 -0.036995 2 19 0.007813 2 20 -0.020318 2 21 -0.050454 3 1 -0.031968 3 2 0.007942 3 3 1.000000 3 4 -0.068251 3 5 -0.117342 3 6 -0.055618 3 7 -0.072082 3 8 0.016955 3 9 0.009305 3 10 0.093541 3 11 -0.086498 3 12 0.006095 3 13 -0.005712 3 14 0.005758 3 15 0.002627 3 16 0.029566 3 17 -0.000007 3 18 -0.019188 3 19 0.006523 3 20 -0.025402 3 21 -0.009409 4 1 0.182383 4 2 0.181260 4 3 -0.068251 4 4 1.000000 4 5 -0.090858 4 6 -0.020495 4 7 -0.035697 4 8 -0.005759 4 9 -0.007872 4 10 0.068555 4 11 -0.064141 4 12 0.002854 4 13 -0.008132 4 14 0.007899 4 15 0.001674 4 16 -0.096573 4 17 -0.000008 4 18 0.071118 4 19 0.006200 4 20 0.087556 4 21 -0.014662 5 1 -0.480414 5 2 0.007235 5 3 -0.117342 5 4 -0.090858 5 5 1.000000 5 6 0.419799 5 7 -0.091468 5 8 0.263615 5 9 0.072650 5 10 -0.917974 5 11 0.902768 5 12 -0.033768 5 13 -0.012593 5 14 0.012191 5 15 -0.016968 5 16 -0.030646 5 17 -0.000008 5 18 0.058950 5 19 0.010943 5 20 0.039256 5 21 -0.021770 6 1 -0.197601 6 2 0.041379 6 3 -0.055618 6 4 -0.020495 6 5 0.419799 6 6 1.000000 6 7 -0.789447 6 8 0.169340 6 9 0.863847 6 10 -0.102873 6 11 0.181886 6 12 -0.016141 6 13 -0.028580 6 14 0.030781 6 15 -0.059409 6 16 -0.349936 6 17 -0.000016 6 18 0.333712 6 19 0.021933 6 20 0.348384 6 21 -0.160638 7 1 -0.138517 7 2 0.011176 7 3 -0.072082 7 4 -0.035697 7 5 -0.091468 7 6 -0.789447 7 7 1.000000 7 8 0.123131 7 9 -0.898938 7 10 -0.155469 7 11 0.057028 7 12 -0.026412 7 13 -0.006002 7 14 0.005549 7 15 0.027830 7 16 0.291924 7 17 0.000003 7 18 -0.249013 7 19 0.011513 7 20 -0.305844 7 21 0.176961 8 1 0.089479 8 2 0.051064 8 3 0.016955 8 4 -0.005759 8 5 0.263615 8 6 0.169340 8 7 0.123131 8 8 1.000000 8 9 -0.179001 8 10 -0.258873 8 11 0.227415 8 12 -0.192895 8 13 0.018176 8 14 -0.013581 8 15 -0.178882 8 16 0.023135 8 17 0.000018 8 18 0.143607 8 19 -0.019879 8 20 -0.001372 8 21 0.019919 9 1 -0.057862 9 2 0.007943 9 3 0.009305 9 4 -0.007872 9 5 0.072650 9 6 0.863847 9 7 -0.898938 9 8 -0.179001 9 9 1.000000 9 10 0.233001 9 11 -0.124700 9 12 0.047008 9 13 0.006304 9 14 -0.005357 9 15 -0.035119 9 16 -0.349295 9 17 0.000017 9 18 0.290243 9 19 -0.012440 9 20 0.356430 9 21 -0.186532 10 1 0.397076 10 2 0.017631 10 3 0.093541 10 4 0.068555 10 5 -0.917974 10 6 -0.102873 10 7 -0.155469 10 8 -0.258873 10 9 0.233001 10 10 1.000000 10 11 -0.982099 10 12 0.043172 10 13 0.007640 10 14 -0.006180 10 15 -0.011667 10 16 -0.143946 10 17 0.000009 10 18 0.089655 10 19 -0.008902 10 20 0.124789 10 21 -0.006956 11 1 -0.385284 11 2 -0.018933 11 3 -0.086498 11 4 -0.064141 11 5 0.902768 11 6 0.181886 11 7 0.057028 11 8 0.227415 11 9 -0.124700 11 10 -0.982099 11 11 1.000000 11 12 -0.039347 11 13 -0.006581 11 14 0.004956 11 15 0.015393 11 16 0.133625 11 17 -0.000006 11 18 -0.078729 11 19 0.007537 11 20 -0.106271 11 21 -0.039098 12 1 -0.032830 12 2 -0.041952 12 3 0.006095 12 4 0.002854 12 5 -0.033768 12 6 -0.016141 12 7 -0.026412 12 8 -0.192895 12 9 0.047008 12 10 0.043172 12 11 -0.039347 12 12 1.000000 12 13 0.003464 12 14 0.002422 12 15 -0.039847 12 16 -0.108381 12 17 -0.789808 12 18 -0.084400 12 19 0.004129 12 20 -0.060875 12 21 0.267965 13 1 -0.004983 13 2 -0.008936 13 3 -0.005712 13 4 -0.008132 13 5 -0.012593 13 6 -0.028580 13 7 -0.006002 13 8 0.018176 13 9 0.006304 13 10 0.007640 13 11 -0.006581 13 12 0.003464 13 13 1.000000 13 14 -0.999693 13 15 -0.842891 13 16 0.354498 13 17 -0.000582 13 18 -0.042012 13 19 -0.999761 13 20 0.006087 13 21 -0.030418 14 1 0.006115 14 2 0.006134 14 3 0.005758 14 4 0.007899 14 5 0.012191 14 6 0.030781 14 7 0.005549 14 8 -0.013581 14 9 -0.005357 14 10 -0.006180 14 11 0.004956 14 12 0.002422 14 13 -0.999693 14 14 1.000000 14 15 0.831091 14 16 -0.367412 14 17 0.000585 14 18 0.054502 14 19 0.999591 14 20 0.001060 14 21 0.040343 15 1 -0.016267 15 2 0.048836 15 3 0.002627 15 4 0.001674 15 5 -0.016968 15 6 -0.059409 15 7 0.027830 15 8 -0.178882 15 9 -0.035119 15 10 -0.011667 15 11 0.015393 15 12 -0.039847 15 13 -0.842891 15 14 0.831091 15 15 1.000000 15 16 -0.033566 15 17 -0.000029 15 18 -0.319202 15 19 0.840953 15 20 -0.219181 15 21 -0.085315 16 1 0.020093 16 2 0.044991 16 3 0.029566 16 4 -0.096573 16 5 -0.030646 16 6 -0.349936 16 7 0.291924 16 8 0.023135 16 9 -0.349295 16 10 -0.143946 16 11 0.133625 16 12 -0.108381 16 13 0.354498 16 14 -0.367412 16 15 -0.033566 16 16 1.000000 16 17 -0.000045 16 18 -0.805618 16 19 -0.344351 16 20 -0.801744 16 21 -0.129495 17 1 -0.000017 17 2 -0.000014 17 3 -0.000007 17 4 -0.000008 17 5 -0.000008 17 6 -0.000016 17 7 0.000003 17 8 0.000018 17 9 0.000017 17 10 0.000009 17 11 -0.000006 17 12 -0.789808 17 13 -0.000582 17 14 0.000585 17 15 -0.000029 17 16 -0.000045 17 17 1.000000 17 18 -0.000082 17 19 0.000586 17 20 0.000179 17 21 -0.000296 18 1 0.001393 18 2 -0.036995 18 3 -0.019188 18 4 0.071118 18 5 0.058950 18 6 0.333712 18 7 -0.249013 18 8 0.143607 18 9 0.290243 18 10 0.089655 18 11 -0.078729 18 12 -0.084400 18 13 -0.042012 18 14 0.054502 18 15 -0.319202 18 16 -0.805618 18 17 -0.000082 18 18 1.000000 18 19 0.029677 18 20 0.941634 18 21 -0.260583 19 1 0.005391 19 2 0.007813 19 3 0.006523 19 4 0.006200 19 5 0.010943 19 6 0.021933 19 7 0.011513 19 8 -0.019879 19 9 -0.012440 19 10 -0.008902 19 11 0.007537 19 12 0.004129 19 13 -0.999761 19 14 0.999591 19 15 0.840953 19 16 -0.344351 19 17 0.000586 19 18 0.029677 19 19 1.000000 19 20 -0.021147 19 21 0.039290 20 1 -0.021275 20 2 -0.020318 20 3 -0.025402 20 4 0.087556 20 5 0.039256 20 6 0.348384 20 7 -0.305844 20 8 -0.001372 20 9 0.356430 20 10 0.124789 20 11 -0.106271 20 12 -0.060875 20 13 0.006087 20 14 0.001060 20 15 -0.219181 20 16 -0.801744 20 17 0.000179 20 18 0.941634 20 19 -0.021147 20 20 1.000000 20 21 -0.360223 21 1 0.003234 21 2 -0.050454 21 3 -0.009409 21 4 -0.014662 21 5 -0.021770 21 6 -0.160638 21 7 0.176961 21 8 0.019919 21 9 -0.186532 21 10 -0.006956 21 11 -0.039098 21 12 0.267965 21 13 -0.030418 21 14 0.040343 21 15 -0.085315 21 16 -0.129495 21 17 -0.000296 21 18 -0.260583 21 19 0.039290 21 20 -0.360223 21 21 1.000000 HCO RADICAL ! Wed Aug 4 14:54:52 1993