Ammonia gs,v2=1 19: Mon Oct 03 18:53:21 2005 LINES REQUESTED= 2263 NUMBER OF PARAMETERS=153 NUMBER OF ITERATIONS= 10 MARQUARDT PARAMETER =0.0000E+000 max (OBS-CALC)/ERROR =5.0000E+001 PARAMETERS - A.PRIORI ERROR 1 1 11 2.3785895030046E+004 1.000000E+033 E 2 2 100 2.9819293203093E+005 1.000000E+033 B 3 2 -111 2.9819293203093E+005 1.000000 4 3 111 -1.5153802307069E+002 1.000000E+033 5 4 1000 -1.1149708391535E+005 1.000000E+033 C-B 6 4 -1011 -1.1149708391535E+005 1.000000 7 5 1011 2.1148872383317E+002 1.000000E+033 8 6 200 -2.5467840778987E+001 1.000000E+033 -DJ 9 6 -211 -2.5467840778987E+001 1.000000 10 7 211 5.0537429894453E-001 1.000000E+033 11 8 1100 4.7309308106270E+001 1.000000E+033 -DJK 12 8 -1111 4.7309308106270E+001 1.000000 13 9 1111 -1.3943598951784E+000 1.000000E+033 14 10 2000 -2.7383417295718E+001 1.000000E+033 -DK 15 10 -2011 -2.7383417295718E+001 1.000000 16 11 2011 9.5521308868836E-001 1.000000E+033 17 12 300 7.6762624825507E-003 1.000000E+033 HJ 18 12 -311 7.6762624825507E-003 1.000000 19 13 311 -1.1932733211173E-003 1.000000E+033 20 14 1200 -2.6067536079598E-002 1.000000E+033 HJJK 21 14 -1211 -2.6067536079598E-002 1.000000 22 15 1211 4.8831217948364E-003 1.000000E+033 23 16 2100 3.0402633959881E-002 1.000000E+033 HJKK 24 16 -2111 3.0402633959881E-002 1.000000 25 17 2111 -6.6116490073525E-003 1.000000E+033 26 18 3000 -1.1558966687577E-002 1.000000E+033 HK 27 18 -3011 -1.1558966687577E-002 1.000000 28 19 3011 2.9627131328392E-003 1.000000E+033 29 20 400 -5.5380992600947E-006 1.000000E+033 D40 30 20 -411 -5.5380992600947E-006 1.000000 31 21 411 2.2294611082195E-006 1.000000E+033 32 22 1300 2.5559153882189E-005 1.000000E+033 D41 33 22 -1311 2.5559153882189E-005 1.000000 34 23 1311 -1.2051216501729E-005 1.000000E+033 35 24 2200 -3.7652274160857E-005 1.000000E+033 D42 36 24 -2211 -3.7652274160857E-005 1.000000 37 25 2211 2.4238504127772E-005 1.000000E+033 38 26 3100 2.0577834971707E-005 1.000000E+033 D43 39 26 -3111 2.0577834971707E-005 1.000000 40 27 3111 -2.1488440703266E-005 1.000000E+033 41 28 4000 -2.8663368041844E-006 1.000000E+033 LK 42 28 -4011 -2.8663368041844E-006 1.000000 43 29 4011 7.0866634433900E-006 1.000000E+033 44 30 500 9.4439318926317E-009 1.000000E+033 D50 45 30 -511 9.4439318926317E-009 1.000000 46 31 511 -3.1850835347003E-009 1.000000E+033 47 32 1400 -6.5335738376270E-008 1.000000E+033 D51 48 32 -1411 -6.5335738376270E-008 1.000000 49 33 1411 2.1458814992938E-008 1.000000E+033 50 34 2300 1.5261551832404E-007 1.000000E+033 D52 51 34 -2311 1.5261551832404E-007 1.000000 52 35 2311 -5.7287953320535E-008 1.000000E+033 53 36 3200 -1.5511163594931E-007 1.000000E+033 D53 54 36 -3211 -1.5511163594931E-007 1.000000 55 37 3211 7.5779006232501E-008 1.000000E+033 56 38 4100 6.6307840427552E-008 1.000000E+033 D54 57 38 -4111 6.6307840427552E-008 1.000000 58 39 4111 -4.9749819253241E-008 1.000000E+033 59 40 5000 -8.0205963075817E-009 1.000000E+033 PK 60 40 -5011 -8.0205963075817E-009 1.000000 61 41 5011 1.2988701251999E-008 1.000000E+033 62 42 600 -1.1918059745718E-011 1.000000E+033 63 42 -611 -1.1918059745718E-011 1.000000 64 43 611 2.5491900588194E-012 1.000000E+033 65 44 1500 8.9601927633153E-011 1.000000E+033 66 44 -1511 8.9601927633153E-011 1.000000 67 45 1511 -2.0699889890314E-011 1.000000E+033 68 46 2400 -2.3541154999388E-010 1.000000E+033 69 46 -2411 -2.3541154999388E-010 1.000000 70 47 2411 6.9396039693229E-011 1.000000E+033 71 48 3300 2.9579380557748E-010 1.000000E+033 72 48 -3311 2.9579380557748E-010 1.000000 73 49 3311 -1.2314227047636E-010 1.000000E+033 74 50 4200 -1.8452820995129E-010 1.000000E+033 75 50 -4211 -1.8452820995129E-010 1.000000 76 51 4211 1.2227024188840E-010 1.000000E+033 77 52 5100 4.6254151244344E-011 1.000000E+033 78 52 -5111 4.6254151244344E-011 1.000000 79 53 5111 -6.4427723222261E-011 1.000000E+033 80 54 6011 1.4051045497188E-011 1.000000E+033 81 55 230001 6.2828859421212E+000 1.000000E+033 82 56 230101 -3.8770672559162E-003 1.000000E+033 83 57 230201 1.9564596794432E-006 1.000000E+033 84 58 231001 1.3889936263600E-002 1.000000E+033 85 59 22 2.7953662671016E+007 1.000000E+035 E 86 59 -33 2.7953662671016E+007 1.000000 87 60 33 1.0699030083565E+006 5.100000E+032 DE 88 61 230032 5.5557289512250E+000 5.000000E+032 89 62 230132 -1.1287123304268E-003 1.100000E+032 90 63 231032 -1.5676715725819E-003 1.000000E+035 91 64 60022 8.5758988999169E-005 1.000000E+035 d403 92 65 60033 6.0865715282741E-005 1.000000E+035 d403 93 66 60122 -2.1686369616447E-007 1.000000E+035 94 67 60133 -1.2616738463611E-007 1.000000E+035 95 68 122 3.0189631381956E+005 2.500000E+032 -DJ 96 68 -133 3.0189631381956E+005 1.000000 -DJ 97 69 133 -5.4009671104604E+003 1.200000E+032 98 70 1022 -1.1937333212169E+005 5.400000E+032 -DJK 99 70 -1033 -1.1937333212169E+005 1.000000 -DJK 100 71 1033 7.5449282147475E+003 2.300000E+032 101 72 222 -3.3891351943591E+001 1.700000E+032 HJ 102 72 -233 -3.3891351943591E+001 1.000000 HJ 103 73 233 1.3014367268150E+001 4.500000E+032 -DJ 104 74 1122 7.2613609156934E+001 4.500000E+032 HJJK 105 74 -1133 7.2613609156934E+001 1.000000 HJJK 106 75 1133 -3.5641867899615E+001 1.200000E+032 -DJK 107 76 2022 -4.5567524437764E+001 5.700000E+032 HJKK 108 76 -2033 -4.5567524437764E+001 1.000000 HJKK 109 77 2033 2.4183327099335E+001 1.100000E+032 -DK 110 78 322 1.6583626227810E-002 2.800000E+032 D40 111 78 -333 1.6583626227810E-002 1.000000 D40 112 79 333 -1.8445968273692E-002 5.400000E+032 HJ 113 80 1222 -6.6487537098683E-002 1.100000E+032 D41 114 80 -1233 -6.6487537098683E-002 1.000000 D41 115 81 1233 7.3613764888319E-002 2.200000E+032 HJJK 116 82 2122 8.7390886425374E-002 2.000000E+032 D42 117 82 -2133 8.7390886425374E-002 1.000000 D42 118 83 2133 -9.6655614383773E-002 3.300000E+032 HJKK 119 84 3022 -3.7063046525078E-002 1.000000E-003 D43 120 84 -3033 -3.7063046525078E-002 1.000000 D43 121 85 3033 4.1755462951398E-002 2.000000E+032 HK 122 86 422 -6.4493261857652E-006 1.200000E+032 D50 123 86 -433 -6.4493261857652E-006 1.000000 D50 124 87 433 1.4195871898957E-005 2.100000E+032 D40 125 88 1322 3.8598909168058E-005 7.800000E+032 D51 126 88 -1333 3.8598909168058E-005 1.000000 D51 127 89 1333 -7.0996675950377E-005 1.200000E+032 D41 128 90 2222 -7.9514052710097E-005 2.100000E+032 D52 129 90 -2233 -7.9514052710097E-005 1.000000 D52 130 91 2233 1.2814704300681E-004 2.700000E+032 D42 131 92 3122 6.7071231363872E-005 2.200000E+032 D53 132 92 -3133 6.7071231363872E-005 1.000000 D53 133 93 3133 -9.8654297475584E-005 3.300000E+032 D43 134 94 4022 -1.9246793910006E-005 7.800000E+032 D54 135 94 -4033 -1.9246793910006E-005 1.000000 D54 136 95 4033 2.7012189566685E-005 1.700000E+032 LK 137 96 5022 2.7244350117034E-008 1.000000E+033 138 96 -5033 2.7244350117034E-008 1.000000 139 97 5033 -2.7428461625275E-008 1.000000E+033 140 98 4122 -7.8358504396167E-008 1.000000E+033 141 98 -4133 -7.8358504396167E-008 1.000000 142 99 4133 6.6483436450177E-008 1.000000E+033 143 100 3222 8.6719327636505E-008 1.000000E+033 144 100 -3233 8.6719327636505E-008 1.000000 145 101 3233 -4.7590007662434E-008 1.000000E+033 146 102 2322 -4.9033965361214E-008 1.000000E+033 147 102 -2333 -4.9033965361214E-008 1.000000 148 103 1422 1.5659373261181E-008 1.000000E+033 149 103 -1433 1.5659373261181E-008 1.000000 150 104 1433 1.1520679550134E-008 1.000000E+033 151 105 522 -2.5209138258434E-009 1.000000E+033 152 105 -533 -2.5209138258434E-009 1.000000 153 106 533 -3.0499261033161E-009 1.000000E+033 153 parameters read, 106 independent parameters ENERGY SORT OF WANG SUB-BLOCKS OBLATE ROTOR SYMMETRIC TOP QUANTA V KMIN KMAX WTPL WTMN ESYMWT NSYM SPINS 0 0 22 0 4 2 3 1 0 22 4 0 2 3 2 0 22 0 4 2 3 3 0 22 4 0 2 3 BLOCK - WT - SYM - V - TSP - N - other quanta (rel. to F=0 ) 1 4 c 0 0 1 4 x 1 0 2 4 a 0 0 2 4 b 1 0 3 4 c 2 0 3 4 x 3 0 4 4 a 2 0 4 4 b 3 0 Maximum Dimension for Hamiltonian = 23 Bad Line(1614): 21 18 3 21 18 0 939.90360 -0.01000 EXP.FREQ. - CALC.FREQ. - DIFF. - EXP.ERR.- EST.ERR.-AVG. CALC.FREQ. - DIFF. - WT. 1: 0 0 1 -1 0 0 0.7934030 0.7934121 -0.0000091 -0.0000100 0.0000000 2: 1 1 1 -1 0 0 16.9633490 16.9633569 -0.0000079 -0.0001000 0.0000000 3: 1 1 0 -1 0 0 16.1729930 16.1729936 -0.0000006 -0.0001000 0.0000000 4: 2 2 1 -1 0 0 45.5872790 45.5872846 -0.0000056 -0.0001000 0.0000000 5: 2 2 0 -1 0 0 44.7959810 44.7959828 -0.0000018 -0.0001000 0.0000000 6: 3 3 1 -1 0 0 86.6578100 86.6578221 -0.0000121 -0.0001000 0.0000000 7: 3 -3 0 -1 0 0 85.8615900 85.8616003 -0.0000103 -0.0001000 0.0000000 8: 4 4 1 -1 0 0 140.1632180 140.1632567 -0.0000387 -0.0001000 0.0000000 9: 4 4 0 -1 0 0 139.3580130 139.3580525 -0.0000395 -0.0001000 0.0000000 10: 5 5 1 -1 0 0 206.0874310 206.0875262 -0.0000952 -0.0001000 0.0000000 11: 5 5 0 -1 0 0 205.2690980 205.2691938 -0.0000958 -0.0001000 0.0000000 12: 6 6 1 -1 0 0 284.4101250 284.4103070 -0.0001820 -0.0001000 0.0000000 13: 6 -6 0 -1 0 0 283.5743450 283.5745279 -0.0001829 -0.0001000 0.0000000 14: 7 7 1 -1 0 0 375.1067570 375.1070494 -0.0002924 -0.0001000 0.0000000 15: 7 7 0 -1 0 0 374.2489930 374.2492831 -0.0002901 -0.0001000 0.0000000 16: 8 8 1 -1 0 0 478.1486490 478.1490515 -0.0004025 -0.0001000 0.0000000 17: 8 8 0 -1 0 0 477.2640750 477.2644733 -0.0003983 -0.0001000 0.0000000 18: 9 9 1 -1 0 0 593.5030570 593.5035404 -0.0004834 -0.0001000 0.0000000 19: 9 -9 0 -1 0 0 592.5864970 592.5869749 -0.0004779 -0.0001000 0.0000000 20: 10 10 1 -1 0 0 721.1332650 721.1337654 -0.0005004 -0.0001000 0.0000000 21: 10 10 0 -1 0 0 720.1791190 720.1796139 -0.0004949 -0.0001000 0.0000000 22: 11 11 1 -1 0 0 860.9986710 860.9991022 -0.0004312 -0.0001000 0.0000000 23: 11 11 0 -1 0 0 860.0008350 860.0012624 -0.0004274 -0.0001000 0.0000000 24: 12 12 1 -1 0 0 1013.0548890 1013.0551662 -0.0002772 -0.0001000 0.0000000 25: 12-12 0 -1 0 0 1012.0066700 1012.0069430 -0.0002730 -0.0001000 0.0000000 26: 13 7 0 -1 0 0 1612.2632910 1612.2633785 -0.0000875 -0.0001000 0.0000000 27: 13 7 1 -1 0 0 1612.6526710 1612.6527531 -0.0000821 -0.0001000 0.0000000 28: 13 13 1 -1 0 0 1177.2538580 1177.2539305 -0.0000725 -0.0001000 0.0000000 29: 13 13 0 -1 0 0 1176.1478700 1176.1479371 -0.0000671 -0.0001000 0.0000000 30: 14 11 1 -1 0 0 1628.7672650 1628.7676268 -0.0003618 -0.0001000 0.0000000 31: 14 11 0 -1 0 0 1628.1563930 1628.1567480 -0.0003550 -0.0001000 0.0000000 32: 14 14 1 -1 0 0 1353.5439530 1353.5438453 0.0001077 -0.0001000 0.0000000 33: 14 14 0 -1 0 0 1352.3720080 1352.3718913 0.0001167 -0.0001000 0.0000000 34: 15 14 1 -1 0 0 1649.5706340 1649.5706578 -0.0000238 -0.0001000 0.0000000 35: 15 14 0 -1 0 0 1648.6012380 1648.6012801 -0.0000421 -0.0001000 0.0000000 36: 15 15 1 -1 0 0 1541.8701230 1541.8699477 0.0001753 -0.0001000 0.0000000 37: 15-15 0 -1 0 0 1540.6230900 1540.6229140 0.0001760 -0.0001000 0.0000000 38: 16 16 1 -1 0 0 1742.1740400 1742.1739519 0.0000881 -0.0001000 0.0000000 39: 16 16 0 -1 0 0 1740.8416790 1740.8416493 0.0000297 -0.0001000 0.0000000 40: 17 17 1 -1 0 0 1954.3942870 1954.3943012 -0.0000142 -0.0001000 0.0000000 41: 17 17 0 -1 0 0 1952.9650390 1952.9653102 -0.0002712 -0.0001000 0.0000000 42: 18 18 1 -1 0 0 2178.4665790 2178.4661568 0.0004222 -0.0001000 0.0000000 43: 18-18 0 -1 0 0 2176.9273030 2176.9276474 -0.0003444 -0.0001000 0.0000000 44: 1 0 0 0 0 1 572498.16300 572498.15899 0.00401 0.01000 0.00000 45: 2 1 0 1 1 1 1168452.39400 1168452.38945 0.00455 0.02000 0.00000 46: 2 0 1 1 0 0 1214852.94200 1214852.95235 -0.01035 0.02000 0.00000 47: 2 1 1 1 1 0 1215245.71400 1215245.70418 0.00982 0.02000 0.00000 48: 9 9 1 8 6 1 360730.30000 360730.27419 0.02581 0.05000 0.00000 49: 9 -9 0 8 -6 0 353971.59000 353971.54710 0.04290 0.05000 0.00000 50: 1 1 1 1 1 0 23694.49550 23694.49542 0.00008 0.00010 0.00000 51: 2 1 1 2 1 0 23098.81900 23098.81931 -0.00031 0.00010 0.00000 52: 2 2 1 2 2 0 23722.63330 23722.63315 0.00015 0.00010 0.00000 53: 3 1 1 3 1 0 22234.50580 22234.50573 0.00007 0.00010 0.00000 54: 3 2 1 3 2 0 22834.18510 22834.18504 0.00006 0.00010 0.00000 55: 3 3 1 3 -3 0 23870.12920 23870.12920 0.00000 0.00010 0.00000 56: 4 1 1 4 1 0 21134.31100 21134.31004 0.00096 0.01000 0.00000 57: 4 2 1 4 2 0 21703.35820 21703.35815 0.00005 0.00010 0.00000 58: 4 3 1 4 -3 0 22688.31200 22688.31038 0.00162 0.01000 0.00000 59: 4 4 1 4 4 0 24139.41630 24139.41645 -0.00015 0.00010 0.00000 60: 5 1 1 5 1 0 19838.34600 19838.35526 -0.00926 0.01000 0.00000 61: 5 2 1 5 2 0 20371.45000 20371.45422 -0.00422 0.01000 0.00000 62: 5 3 1 5 -3 0 21285.27500 21285.27999 -0.00499 0.01000 0.00000 63: 5 4 1 5 4 0 22653.02200 22653.02459 -0.00259 0.01000 0.00000 64: 5 5 1 5 5 0 24532.98870 24532.98863 0.00007 0.00010 0.00000 65: 6 1 1 6 1 0 18391.56200 18391.56770 -0.00570 0.01000 0.00000 66: 6 2 1 6 2 0 18884.69500 18884.70639 -0.01139 0.01000 0.00000 67: 6 3 1 6 -3 0 19757.53800 19757.57690 -0.03890 0.01000 0.00000 68: 6 4 1 6 4 0 20994.61700 20994.63374 -0.01674 0.01000 0.00000 69: 6 5 1 6 5 0 22732.42900 22732.42608 0.00292 0.01000 0.00000 70: 6 6 1 6 -6 0 25056.02500 25056.02541 -0.00041 0.01000 0.00000 71: 7 1 1 7 1 0 16840.97200 16840.99210 -0.02010 0.01000 0.00000 72: 7 2 1 7 2 0 17291.49300 17291.50989 -0.01689 0.01000 0.00000 73: 7 3 1 7 -3 0 18017.33700 18017.35903 -0.02203 0.01000 0.00000 74: 7 4 1 7 4 0 19218.46500 19218.47127 -0.00627 0.01000 0.00000 75: 7 5 1 7 5 0 20804.83000 20804.83137 -0.00137 0.01000 0.00000 76: 7 6 1 7 -6 0 22924.94000 22924.93739 0.00261 0.01000 0.00000 77: 7 7 1 7 7 0 25715.18200 25715.18791 -0.00591 0.01000 0.00000 78: 8 1 1 8 1 0 15233.22900 15233.22349 0.00551 0.01000 0.00000 79: 8 2 1 8 2 0 15639.76100 15639.77540 -0.01440 0.01000 0.00000 80: 8 3 1 8 -3 0 16455.09900 16455.10233 -0.00333 0.01000 0.00000 81: 8 4 1 8 4 0 17378.11000 17378.12035 -0.01035 0.01000 0.00000 82: 8 5 1 8 5 0 18808.50700 18808.51398 -0.00698 0.01000 0.00000 83: 8 6 1 8 -6 0 20719.22100 20719.21554 0.00546 0.01000 0.00000 84: 8 7 1 8 7 0 23232.23800 23232.23511 0.00289 0.01000 0.00000 85: 8 8 1 8 8 0 26518.98100 26518.98944 -0.00844 0.01000 0.00000 86: 9 1 1 9 1 0 13612.14600 13612.15231 -0.00631 0.01000 0.00000 87: 9 2 1 9 2 0 13974.60500 13974.60883 -0.00383 0.01000 0.00000 88: 9 3 1 9 -3 0 14376.81700 14376.82516 -0.00816 0.01000 0.00000 89: 9 4 1 9 4 0 15523.90000 15523.91294 -0.01294 0.01000 0.00000 90: 9 5 1 9 5 0 16798.13400 16798.14669 -0.01269 0.01000 0.00000 91: 9 6 1 9 -6 0 18499.39000 18499.39785 -0.00785 0.01000 0.00000 92: 9 7 1 9 7 0 20735.45200 20735.44666 0.00534 0.01000 0.00000 93: 9 8 1 9 8 0 23657.47100 23657.46879 0.00221 0.01000 0.00000 94: 9 9 1 9 -9 0 27477.94300 27477.94264 0.00036 0.01000 0.00000 95: 10 1 1 10 1 0 12017.17200 12017.15524 0.01676 0.01000 0.00000 96: 10 2 1 10 2 0 12336.46200 12336.45497 0.00703 0.01000 0.00000 97: 10 3 1 10 -3 0 13296.34200 13296.33717 0.00483 0.01000 0.00000 98: 10 4 1 10 4 0 13700.88300 13700.86684 0.01616 0.01000 0.00000 99: 10 5 1 10 5 0 14822.52700 14822.52622 0.00078 0.01000 0.00000 100: 10 6 1 10 -6 0 16319.32400 16319.33317 -0.00917 0.01000 0.00000 101: 10 7 1 10 7 0 18285.43400 18285.44038 -0.00638 0.01000 0.00000 102: 10 8 1 10 8 0 20852.52700 20852.52103 0.00597 0.01000 0.00000 103: 10 9 1 10 -9 0 24205.28700 24205.29335 -0.00635 0.01000 0.00000 104: 10 10 1 10 10 0 28604.73700 28604.74210 -0.00510 0.01000 0.00000 105: 11 1 1 11 1 0 10481.78300 10481.79345 -0.01045 0.01000 0.00000 106: 11 2 1 11 2 0 10759.77100 10759.76771 0.00329 0.01000 0.00000 107: 11 3 1 11 -3 0 10536.18300 10536.16714 0.01586 0.01000 0.00000 108: 11 4 1 11 4 0 11947.24400 11947.23666 0.00734 0.01000 0.00000 109: 11 5 1 11 5 0 12923.04000 12923.02515 0.01485 0.01000 0.00000 110: 11 6 1 11 -6 0 14224.64700 14224.64573 0.00127 0.01000 0.00000 111: 11 7 1 11 7 0 15933.21300 15933.22168 -0.00868 0.01000 0.00000 112: 11 8 1 11 8 0 18162.25300 18162.35881 -0.10581 0.11000 0.00000 113: 11 9 1 11 -9 0 21070.73900 21070.72625 0.01275 0.01000 0.00000 114: 11 10 1 11 10 0 24881.92200 24881.92829 -0.00629 0.01000 0.00000 115: 11 11 1 11 11 0 29914.48600 29914.48604 -0.00004 0.01000 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1.37672E-002 10 8.79070E-001 11 3.12278E-001 12 2.76345E-001 13 5.80384E-003 14 3.26947E-002 15 5.33591E-002 16 1.01958E-003 17 1.98578E-003 18 4.25115E-003 19 7.01791E-002 20 1.40078E-002 21 8.49634E-002 22 4.97215E-004 23 4.91123E-004 24 4.95686E-003 25 6.10004E-003 26 1.01478E-004 27 2.30780E-004 28 9.50359E-002 29 1.10497E-002 30 1.70399E-003 31 7.28774E-004 32 2.08284E-002 33 1.70249E-002 34 4.40898E-005 35 4.80092E-005 36 8.03170E-005 37 1.40815E-003 38 2.57777E-003 39 1.26427E-004 40 6.48220E-004 41 1.02293E-003 42 1.09541E-001 43 8.87668E-001 44 5.73582E-004 45 2.70228E-003 46 9.64463E-003 47 1.67783E-001 48 1.55863E-005 49 9.04626E-006 50 2.20117E-004 51 2.06289E-002 52 9.98090E-001 53 1.73311E-004 54 9.99958E-001 55 9.99998E-001 56 1.09725E-002 57 2.34609E-001 58 1.21373E-001 59 9.99756E-001 60 3.80397E-001 61 9.99979E-001 62 2.81522E-001 63 3.83726E-001 64 3.95658E-001 65 4.59197E-001 66 1.00000E+000 67 9.83945E-001 68 9.39539E-001 69 1.22866E-001 70 6.88682E-002 71 4.70617E-001 72 8.97482E-002 73 2.28549E-001 74 5.06406E-002 75 2.06233E-002 76 5.13883E-001 77 9.38664E-002 78 9.55591E-001 79 8.60226E-003 80 9.78243E-003 81 1.95477E-003 82 5.65385E-003 83 1.00000E+000 84 2.11329E-001 85 5.24841E-003 86 4.33997E-003 87 3.80690E-002 88 2.64218E-002 89 3.42823E-003 90 1.32120E-003 91 3.65373E-004 92 1.39550E-004 93 7.53483E-004 94 1.63637E-002 95 3.49610E-002 96 7.78063E-001 97 3.34041E-001 98 2.21076E-003 99 8.36240E-004 100 3.01764E-004 101 1.39787E-002 102 7.87224E-002 103 6.96236E-003 104 6.23155E-002 105 2.73221E-001 106 4.65315E-001 MARQUARDT PARAMETER = 0, TRUST EXPANSION = 1.00 NEW PARAMETER (EST. ERROR) -- CHANGE THIS ITERATION 1 11 E 23785.895030(131) -0.000000 2 100 B 298192.9320( 41) 0.0000 3 111 -151.538023( 40) 0.000000 4 1000 C-B -111497.0839(128) 0.0000 5 1011 211.488724( 56) -0.000000 6 200 -DJ -25.46784( 63) 0.00000 7 211 0.5053743( 41) -0.0000000 8 1100 -DJK 47.30931(244) -0.00000 9 1111 -1.3943599(141) 0.0000000 10 2000 -DK -27.38342(205) 0.00000 11 2011 0.9552131(115) -0.0000000 12 300 HJ 7.6763(182)E-03 -0.0000E-03 13 311 -1.193273(133)E-03 0.000000E-03 14 1200 HJJK -0.026068( 94) 0.000000 15 1211 4.88312( 81)E-03 -0.00000E-03 16 2100 HJKK 0.030403(152) -0.000000 17 2111 -6.61165(160)E-03 0.00000E-03 18 3000 HK -0.011559( 78) 0.000000 19 3011 2.96271( 96)E-03 -0.00000E-03 20 400 D40 -5.538(202)E-06 0.000E-06 21 411 2.22946(178)E-06 -0.00000E-06 22 1300 D41 0.02556(142)E-03 -0.00000E-03 23 1311 -0.0120512(182)E-03 0.0000000E-03 24 2200 D42 -0.0377( 41)E-03 0.0000E-03 25 2211 0.024238( 52)E-03 -0.000000E-03 26 3100 D43 0.0206( 50)E-03 -0.0000E-03 27 3111 -0.021488( 55)E-03 0.000000E-03 28 4000 LK -2.87(206)E-06 0.00E-06 29 4011 7.0867(204)E-06 -0.0000E-06 30 500 D50 9.44( 96)E-09 -0.00E-09 31 511 -3.1851( 98)E-09 0.0000E-09 32 1400 D51 -0.0653( 73)E-06 0.0000E-06 33 1411 0.021459(103)E-06 -0.000000E-06 34 2300 D52 0.1526(212)E-06 -0.0000E-06 35 2311 -0.05729( 39)E-06 0.00000E-06 36 3200 D53 -0.1551(300)E-06 0.0000E-06 37 3211 0.07578( 64)E-06 -0.00000E-06 38 4100 D54 0.0663(216)E-06 -0.0000E-06 39 4111 -0.04975( 49)E-06 0.00000E-06 40 5000 PK -8.0( 65)E-09 0.0E-09 41 5011 0.012989(144)E-06 -0.000000E-06 42 600 -0.01192(163)E-09 0.00000E-09 43 611 2.5492(188)E-12 -0.0000E-12 44 1500 0.0896(143)E-09 -0.0000E-09 45 1511 -0.020700(210)E-09 0.000000E-09 46 2400 -0.235( 48)E-09 0.000E-09 47 2411 0.06940( 94)E-09 -0.00000E-09 48 3300 0.296( 78)E-09 -0.000E-09 49 3311 -0.12314(211)E-09 0.00000E-09 50 4200 -0.185( 61)E-09 0.000E-09 51 4211 0.12227(251)E-09 -0.00000E-09 52 5100 0.0463(186)E-09 -0.0000E-09 53 5111 -0.06443(153)E-09 0.00000E-09 54 6011 0.01405( 38)E-09 -0.00000E-09 55 230001 6.2829( 75) -0.0000 56 230101 -3.8771( 45)E-03 -0.0000E-03 57 230201 1.9565(135)E-06 0.0000E-06 58 231001 0.01389(167) 0.00000 59 22 E 27953662.671( 75) -0.000 60 33 DE 1069903.0084(175) 0.0000 61 230032 5.5557( 50) -0.0000 62 230132 -1.129( 50)E-03 0.000E-03 63 231032 -1.57(105)E-03 0.00E-03 64 60022 d403 0.08576( 95)E-03 0.00000E-03 65 60033 d403 0.06087(127)E-03 -0.00000E-03 66 60122 -0.2169( 69)E-06 -0.0000E-06 67 60133 -0.1262(100)E-06 -0.0000E-06 68 122 -DJ 301896.3138( 97) 0.0000 69 133 -5400.9671( 51) -0.0000 70 1022 -DJK -119373.3321(142) -0.0000 71 1033 7544.9282( 97) 0.0000 72 222 HJ -33.89135( 59) -0.00000 73 233 -DJ 13.01437( 41) 0.00000 74 1122 HJJK 72.61361(166) 0.00000 75 1133 -DJK -35.64187(138) -0.00000 76 2022 HJKK -45.56752(127) -0.00000 77 2033 -DK 24.18333(111) 0.00000 78 322 D40 0.0165836(110) 0.0000000 79 333 HJ -0.0184460( 88) -0.0000000 80 1222 D41 -0.066488( 45) -0.000000 81 1233 HJJK 0.073614( 38) 0.000000 82 2122 D42 0.087391( 75) -0.000000 83 2133 HJKK -0.096656( 52) -0.000000 84 3022 D43 -0.037063( 42) 0.000000 85 3033 HK 0.0417555(224) 0.0000000 86 422 D50 -6.449( 69)E-06 -0.000E-06 87 433 D40 0.014196( 59)E-03 0.000000E-03 88 1322 D51 0.03860( 52)E-03 -0.00000E-03 89 1333 D41 -0.070997(268)E-03 0.000000E-03 90 2222 D52 -0.07951(190)E-03 0.00000E-03 91 2233 D42 0.12815( 51)E-03 -0.00000E-03 92 3122 D53 0.06707(247)E-03 -0.00000E-03 93 3133 D43 -0.09865( 50)E-03 0.00000E-03 94 4022 D54 -0.01925(103)E-03 0.00000E-03 95 4033 LK 0.027012(207)E-03 -0.000000E-03 96 5022 0.02724(157)E-06 -0.00000E-06 97 5033 -0.02743(118)E-06 0.00000E-06 98 4122 -0.0784( 44)E-06 0.0000E-06 99 4133 0.06648(270)E-06 -0.00000E-06 100 3222 0.0867( 49)E-06 -0.0000E-06 101 3233 -0.04759(184)E-06 0.00000E-06 102 2322 -0.04903(296)E-06 0.00000E-06 103 1422 0.01566( 95)E-06 -0.00000E-06 104 1433 0.01152( 42)E-06 0.00000E-06 105 522 -2.521(136)E-09 0.000E-09 106 533 -3.050(117)E-09 -0.000E-09 MICROWAVE AVG = -1.439062 MHz, IR AVG = 0.00001 MICROWAVE RMS = 11.368951 MHz, IR RMS = 0.00219 END OF ITERATION 1 OLD, NEW RMS ERROR= 1.00775 1.00775 1 2 0.009570 1 3 -0.719817 1 4 -0.002102 1 5 0.092745 1 6 -0.005404 1 7 0.446193 1 8 0.002207 1 9 -0.083375 1 10 -0.001518 1 11 0.060899 1 12 0.004533 1 13 -0.294636 1 14 -0.005260 1 15 0.072685 1 16 0.008832 1 17 -0.019096 1 18 -0.012544 1 19 -0.029250 1 20 -0.003946 1 21 0.209570 1 22 0.014642 1 23 -0.063593 1 24 -0.023238 1 25 0.033843 1 26 0.026846 1 27 -0.023210 1 28 -0.028228 1 29 0.035302 1 30 0.003607 1 31 -0.163914 1 32 -0.002345 1 33 0.065548 1 34 0.004514 1 35 -0.040241 1 36 -0.009251 1 37 0.034247 1 38 0.014815 1 39 -0.037487 1 40 -0.019254 1 41 0.035923 1 42 -0.003531 1 43 0.136595 1 44 0.002629 1 45 -0.065426 1 46 -0.002280 1 47 0.044006 1 48 0.001944 1 49 -0.038636 1 50 -0.001541 1 51 0.038399 1 52 0.001067 1 53 -0.036792 1 54 0.035799 1 55 0.031075 1 56 0.023262 1 57 -0.020740 1 58 -0.032308 1 59 0.002712 1 60 -0.000829 1 61 0.000219 1 62 -0.000494 1 63 -0.000244 1 64 0.000796 1 65 -0.000033 1 66 -0.000531 1 67 0.000313 1 68 -0.000756 1 69 -0.000869 1 70 0.001180 1 71 -0.001007 1 72 0.000018 1 73 0.000601 1 74 -0.000670 1 75 -0.001072 1 76 0.000504 1 77 0.002449 1 78 -0.000020 1 79 -0.000358 1 80 0.000167 1 81 0.000500 1 82 0.000340 1 83 -0.000273 1 84 -0.000674 1 85 -0.001391 1 86 0.000262 1 87 0.000365 1 88 -0.000115 1 89 -0.000856 1 90 -0.000114 1 91 0.001077 1 92 0.000121 1 93 -0.001210 1 94 -0.000077 1 95 0.002239 1 96 0.002816 1 97 -0.002514 1 98 -0.002581 1 99 0.001873 1100 0.002171 1101 -0.001585 1102 -0.001536 1103 0.001007 1104 0.000946 1105 -0.000564 1106 -0.000481 2 1 0.009570 2 3 -0.008855 2 4 -0.350287 2 5 0.003713 2 6 -0.760348 2 7 0.006322 2 8 0.463895 2 9 -0.002254 2 10 -0.338869 2 11 0.001121 2 12 0.661080 2 13 -0.003979 2 14 -0.410310 2 15 0.000440 2 16 0.259801 2 17 0.000733 2 18 -0.156129 2 19 -0.001306 2 20 -0.565852 2 21 0.002535 2 22 0.310569 2 23 0.000366 2 24 -0.143828 2 25 -0.000973 2 26 0.066072 2 27 0.001159 2 28 -0.031868 2 29 -0.001094 2 30 0.473567 2 31 -0.001712 2 32 -0.273793 2 33 -0.000356 2 34 0.154378 2 35 0.000907 2 36 -0.085032 2 37 -0.001055 2 38 0.045279 2 39 0.001064 2 40 -0.023400 2 41 -0.001071 2 42 -0.390569 2 43 0.001192 2 44 0.217649 2 45 0.000353 2 46 -0.122556 2 47 -0.000839 2 48 0.073583 2 49 0.000984 2 50 -0.047798 2 51 -0.001023 2 52 0.033571 2 53 0.001045 2 54 -0.001055 2 55 -0.000947 2 56 -0.005317 2 57 0.004714 2 58 0.001184 2 59 0.010727 2 60 0.195214 2 61 -0.017229 2 62 0.014525 2 63 0.016529 2 64 0.154143 2 65 -0.150101 2 66 -0.128723 2 67 0.103896 2 68 0.209490 2 69 -0.226151 2 70 -0.155137 2 71 0.161529 2 72 -0.278883 2 73 0.111999 2 74 0.169392 2 75 -0.061609 2 76 -0.098741 2 77 0.022467 2 78 0.234992 2 79 -0.071009 2 80 -0.146803 2 81 0.039312 2 82 0.092754 2 83 -0.020159 2 84 -0.067464 2 85 0.014001 2 86 -0.199612 2 87 0.062944 2 88 0.078194 2 89 -0.035493 2 90 -0.019243 2 91 0.012982 2 92 -0.000475 2 93 0.000239 2 94 0.011450 2 95 -0.007974 2 96 0.008621 2 97 -0.028308 2 98 -0.006709 2 99 0.031923 2100 -0.005911 2101 -0.035897 2102 0.033310 2103 -0.080741 2104 0.051228 2105 0.159876 2106 -0.064267 3 1 -0.719817 3 2 -0.008855 3 4 0.002738 3 5 -0.675607 3 6 0.005267 3 7 -0.873716 3 8 -0.003790 3 9 0.506842 3 10 0.003942 3 11 -0.344761 3 12 -0.004749 3 13 0.667082 3 14 0.010845 3 15 -0.331870 3 16 -0.020806 3 17 0.174070 3 18 0.030292 3 19 -0.092085 3 20 0.004687 3 21 -0.516815 3 22 -0.033914 3 23 0.234925 3 24 0.055618 3 25 -0.150899 3 26 -0.064513 3 27 0.121378 3 28 0.067752 3 29 -0.115679 3 30 -0.005008 3 31 0.426323 3 32 0.005711 3 33 -0.228952 3 34 -0.012520 3 35 0.152314 3 36 0.024285 3 37 -0.121364 3 38 -0.037201 3 39 0.106172 3 40 0.047140 3 41 -0.092594 3 42 0.005642 3 43 -0.365970 3 44 -0.006554 3 45 0.216201 3 46 0.006916 3 47 -0.147316 3 48 -0.006484 3 49 0.115442 3 50 0.005494 3 51 -0.098436 3 52 -0.004244 3 53 0.087826 3 54 -0.082372 3 55 -0.078340 3 56 0.055733 3 57 -0.061213 3 58 0.075970 3 59 -0.001796 3 60 0.000720 3 61 -0.000351 3 62 0.000419 3 63 0.000323 3 64 -0.000521 3 65 0.000546 3 66 0.000180 3 67 -0.000736 3 68 0.000735 3 69 -0.000552 3 70 -0.000734 3 71 0.001033 3 72 -0.000697 3 73 0.000947 3 74 0.000782 3 75 -0.000527 3 76 -0.000738 3 77 -0.000101 3 78 0.000731 3 79 -0.000895 3 80 -0.000650 3 81 0.000610 3 82 0.000302 3 83 -0.000490 3 84 0.000016 3 85 0.000800 3 86 -0.000929 3 87 0.000599 3 88 0.000429 3 89 0.000000 3 90 -0.000071 3 91 -0.000572 3 92 -0.000003 3 93 0.000992 3 94 -0.000020 3 95 -0.001412 3 96 -0.002615 3 97 0.001785 3 98 0.002605 3 99 -0.001466 3100 -0.002355 3101 0.001177 3102 0.001837 3103 -0.001360 3104 -0.000389 3105 0.001130 3106 -0.000138 4 1 -0.002102 4 2 -0.350287 4 3 0.002738 4 5 -0.002382 4 6 0.482627 4 7 -0.002889 4 8 -0.600320 4 9 0.002449 4 10 0.338824 4 11 -0.002204 4 12 -0.481038 4 13 0.003105 4 14 0.375537 4 15 -0.003725 4 16 -0.157617 4 17 0.003823 4 18 0.036769 4 19 -0.003788 4 20 0.473375 4 21 -0.003074 4 22 -0.284591 4 23 0.004140 4 24 0.108493 4 25 -0.004144 4 26 -0.042046 4 27 0.004075 4 28 0.020683 4 29 -0.003874 4 30 -0.447435 4 31 0.003082 4 32 0.268375 4 33 -0.003921 4 34 -0.132283 4 35 0.004042 4 36 0.062216 4 37 -0.004059 4 38 -0.028461 4 39 0.004076 4 40 0.013501 4 41 -0.004140 4 42 0.407191 4 43 -0.003177 4 44 -0.231355 4 45 0.003796 4 46 0.119008 4 47 -0.003982 4 48 -0.064102 4 49 0.004065 4 50 0.038246 4 51 -0.004121 4 52 -0.026834 4 53 0.004156 4 54 -0.004138 4 55 -0.004434 4 56 0.007377 4 57 -0.008154 4 58 0.004208 4 59 0.402147 4 60 0.228673 4 61 0.032294 4 62 -0.015780 4 63 -0.029185 4 64 0.031813 4 65 0.078736 4 66 -0.011071 4 67 -0.069364 4 68 0.226080 4 69 0.079761 4 70 0.069282 4 71 -0.116788 4 72 -0.169104 4 73 -0.135763 4 74 -0.047324 4 75 0.082933 4 76 -0.005837 4 77 -0.035227 4 78 0.177457 4 79 0.133501 4 80 -0.133421 4 81 -0.092074 4 82 0.181013 4 83 0.071536 4 84 -0.179894 4 85 -0.069930 4 86 -0.171003 4 87 -0.127850 4 88 0.126180 4 89 0.084787 4 90 -0.086743 4 91 -0.041627 4 92 0.058751 4 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0.298176106 87 -0.968064 106 88 0.196672106 89 0.682405106 90 -0.400375106 91 -0.249822106 92 0.457658106 93 -0.151229106 94 -0.475654106 95 0.371523 106 96 0.061136106 97 0.394700106 98 -0.022913106 99 -0.505720106100 -0.017181106101 0.635649106102 0.010425106103 0.104881 106104 -0.915717106105 -0.316873 Ammonia gs,v2=1 19: Mon Oct 03 18:53:22 2005