79.Br CBrClF2, v9=1/v5=1, 307.5/337.7 cm-1 Sat Feb 19 21:27:23 2011 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= 1: 55 2 54 0 54 1 53 0 165262.8430 -0.0355 0.050 2: 54 4 51 0 53 3 50 0 165169.8680 0.0343 0.050 3: 67 2 66 0 66 1 65 0 200800.6590 -0.0112 0.050 4: 65 6 60 0 64 5 59 0 200629.7410 0.0599 0.050 5: 73 2 72 0 72 1 71 0 218558.9040 -0.0067 0.200 6: 72 4 69 0 71 3 68 0 218455.1390 -0.0095 0.050 7: 71 6 66 0 70 5 65 0 218375.4620 -0.0737 0.050 8: 74 1 74 0 73 0 73 0 220093.7470 0.0412 0.050 9: 72 5 68 0 71 4 67 0 219889.8880 0.0938 0.050 10: 71 7 65 0 70 6 64 0 219832.3850 -0.0145 0.050 11: 74 2 73 0 73 1 72 0 221517.8640 0.0058 0.050 12: 73 4 70 0 72 3 69 0 221413.6750 -0.0065 0.050 13: 72 6 67 0 71 5 66 0 221332.7120 -0.0192 0.050 14: 75 1 75 0 74 0 74 0 223052.6140 -0.0181 0.050 15: 74 3 72 0 73 2 71 0 222943.4580 0.0074 0.050 16: 72 7 66 0 71 6 65 0 222788.0660 0.0046 0.050 17: 75 2 74 0 74 1 73 0 224476.5700 -0.0103 0.050 18: 74 4 71 0 73 3 70 0 224371.9780 -0.0219 0.050 19: 78 5 74 0 77 4 73 0 237634.4620 0.0042 0.050 20: 77 7 71 0 76 6 70 0 237564.9190 -0.0288 0.050 21: 80 2 79 0 79 1 78 0 239266.7190 0.0116 0.050 22: 79 4 76 0 78 3 75 0 239160.2300 -0.0115 0.050 23: 78 6 73 0 77 5 72 0 239072.4030 -0.0060 0.050 24: 77 8 70 0 76 7 69 0 239028.0630 -0.0100 0.050 25: 96 1 96 0 95 0 95 0 285133.1240 0.0071 0.050 26: 95 3 93 0 94 2 92 0 285019.1850 0.0099 0.050 27: 94 5 90 0 93 4 89 0 284912.1600 -0.0238 0.050 28: 93 7 87 0 92 6 86 0 284822.4160 -0.0042 0.050 29:102 1102 0 101 0101 0 302848.1690 0.0199 0.050 30: 97 11 87 0 96 10 86 0 302449.9110 -0.0416 0.050 31:108 2107 0 107 1106 0 321968.2780 0.0564 0.050 32:105 8 98 0 104 7 97 0 321656.6100 0.0545 0.050 33:104 10 95 0 103 9 94 0 321598.8730 0.0532 0.050 34:108 3106 0 107 2105 0 323384.6990 -0.0016 0.050 35:106 7100 0 105 6 99 0 323172.5310 -0.0644 0.050 36:105 9 97 0 104 8 96 0 323095.8370 -0.0084 0.050 37:104 11 94 0 103 10 93 0 323061.3650 0.0370 0.050 38:110 3108 0 109 2107 0 329282.2590 -0.0493 0.050 39:108 7102 0 107 6101 0 329068.1450 -0.0085 0.050 40:107 9 99 0 106 8 98 0 328988.8260 0.0247 0.050 41:106 11 96 0 105 10 95 0 328949.0770 0.0404 0.050 42:110 4107 0 109 3106 0 330699.0770 -0.0232 0.050 43:108 8101 0 107 7100 0 330498.2320 -0.0387 0.050 44:107 10 98 0 106 9 97 0 330434.9850 -0.0220 0.050 45:106 12 95 0 105 11 94 0 330423.6620 0.0046 0.050 ! 46: 40 2 39 1 39 1 38 1 120813.2230 -0.0468 0.050 47: 55 2 54 1 54 1 53 1 165270.5310 0.0156 0.050 48: 54 4 51 1 53 3 50 1 165174.0260 -0.0902 0.050 49: 67 1 67 1 66 0 66 1 199385.6600 -0.0247 0.050 50: 67 2 66 1 66 1 65 1 200809.6440 0.0108 0.050 51: 66 4 63 1 65 3 62 1 200705.3980 0.0050 0.050 52: 73 2 72 1 72 1 71 1 218568.2580 -0.0829 0.200 53: 72 4 69 1 71 3 68 1 218461.4070 -0.0069 0.050 54: 71 6 66 1 70 5 65 1 218378.7010 -0.0102 0.050 55: 74 1 74 1 73 0 73 1 220104.7720 0.0097 0.050 56: 73 3 71 1 72 2 70 1 219992.6230 -0.0168 0.050 57: 72 5 68 1 71 4 67 1 219894.5330 -0.0097 0.050 58: 71 7 65 1 70 6 64 1 219834.1630 0.0282 0.050 59: 74 2 73 1 73 1 72 1 221527.4120 0.0597 0.050 60: 73 4 70 1 72 3 69 1 221420.0440 0.0201 0.050 61: 75 1 75 1 74 0 74 1 223063.7840 0.0401 0.050 62: 74 3 72 1 73 2 71 1 222951.4000 0.0033 0.050 63: 73 5 69 1 72 4 68 1 222852.5830 0.0046 0.050 64: 72 7 66 1 71 6 65 1 222789.8400 -0.0451 0.050 65: 75 2 74 1 74 1 73 1 224486.1230 -0.0112 0.050 66: 74 4 71 1 73 3 70 1 224378.4280 0.0127 0.050 67: 79 3 77 1 78 2 76 1 237741.6960 0.0072 0.050 68: 78 5 74 1 77 4 73 1 237639.5670 -0.0674 0.050 69: 77 7 71 1 76 6 70 1 237567.1760 0.0094 0.050 70: 80 2 79 1 79 1 78 1 239276.4950 -0.0012 0.050 71: 79 4 76 1 78 3 75 1 239166.9950 0.0334 0.050 72: 78 6 73 1 77 5 72 1 239076.1390 0.0165 0.050 73: 77 8 70 1 76 7 69 1 239028.9310 0.0123 0.050 74: 96 1 96 1 95 0 95 1 285144.3330 0.0192 0.050 75: 95 3 93 1 94 2 92 1 285027.6140 0.0752 0.050 76: 94 5 90 1 93 4 89 1 284917.7380 -0.0181 0.050 77: 93 7 87 1 92 6 86 1 284825.2730 0.0092 0.050 78:102 1102 1 101 0101 1 302858.9060 -0.0443 0.050 79:108 2107 1 107 1106 1 321977.0080 -0.0537 0.050 80:106 6101 1 105 5100 1 321750.0730 0.0535 0.050 81:105 8 98 1 104 7 97 1 321657.8100 -0.0573 0.050 82:104 10 95 1 103 9 94 1 321597.6910 -0.0985 0.050 83:103 12 92 1 102 11 91 1 321595.6900 0.0664 0.050 84:108 3106 1 107 2105 1 323392.1840 -0.0196 0.050 85:107 5103 1 106 4102 1 323277.6650 0.0441 0.050 86:106 7100 1 105 6 99 1 323175.0250 -0.0684 0.050 87:104 11 94 1 103 10 93 1 323059.1700 -0.0124 0.050 88:110 3108 1 109 2107 1 329289.5940 0.0008 0.050 89:109 5105 1 108 4104 1 329174.3250 -0.0068 0.050 90:108 7102 1 107 6101 1 329070.5620 0.0400 0.050 91:107 9 99 1 106 8 98 1 328988.8200 0.0042 0.050 92:106 11 96 1 105 10 95 1 328946.8610 0.0002 0.050 93:111 2110 1 110 1109 1 330823.4880 -0.0039 0.050 94:110 4107 1 109 3106 1 330705.0980 0.0136 0.050 95:109 6104 1 108 5103 1 330594.2900 0.0105 0.050 96:108 8101 1 107 7100 1 330499.4610 0.0414 0.050 ! 97: 19 19 1 0 18 18 0 0 144086.9760 -0.0193 0.050 98: 21 21 1 0 20 20 0 0 159482.8790 0.0258 0.050 99: 29 29 1 0 28 28 0 0 221036.8050 -0.0119 0.050 100: 42 42 1 0 41 41 0 0 320927.6960 0.0209 0.050 101: 30 29 2 0 29 28 1 0 224222.7630 -0.0363 0.050 102: 30 28 3 0 29 27 2 0 219717.2980 -0.3063 0.200 103: 33 30 4 0 32 29 3 0 238284.0380 -0.0122 0.050 104: 44 41 4 0 43 40 3 0 322800.6680 -0.1245 0.100 105: 45 42 4 0 44 41 3 0 330476.6830 -0.0875 0.050 106: 31 27 5 0 30 26 4 0 218397.4110 0.1177 0.200 107: 34 29 6 0 33 28 5 0 236964.5650 -0.0276 0.050 108: 33 26 8 0 32 25 7 0 220260.3090 -0.1485 0.200 109: 31 23 9 0 30 22 8 0 200363.7490 -0.0028 0.050 110: 47 39 9 0 46 38 8 0 323358.2590 -0.0128 0.100 111: 34 25 10 0 33 24 9 0 218936.2950 0.1293 0.050 112: 35 25 11 0 34 24 10 0 222119.8300 0.0906 0.050 113: 37 27 11 0 36 26 10 0 237504.1630 -0.0443 0.050 114: 49 39 11 0 48 38 10 0 329721.4590 0.1465 0.050 115: 46 35 12 0 45 34 11 0 302182.7330 0.0553 0.100 116: 36 24 13 0 35 23 12 0 220791.4490 0.0307 0.050 117: 34 21 14 0 33 20 13 0 200885.2760 0.0010 0.050 118: 37 24 14 0 36 23 13 0 223973.0330 0.0147 0.050 119: 39 26 14 0 38 25 13 0 239359.4670 -0.0909 0.100 120: 50 37 14 0 49 36 13 0 323906.4030 -0.1134 0.100 121: 37 23 15 0 36 22 14 0 219458.7610 -0.0101 0.050 122: 35 20 16 0 34 19 15 0 199544.7780 -0.0752 0.050 123: 38 23 16 0 37 22 15 0 222638.4310 -0.0057 0.050 124: 40 25 16 0 39 24 15 0 238027.8930 -0.0180 0.050 125: 38 22 17 0 37 21 16 0 218120.0420 -0.0417 0.050 126: 39 22 18 0 38 21 17 0 221297.1010 0.0125 0.050 127: 37 19 19 0 36 18 18 0 201366.9600 -0.0532 0.050 128: 40 22 19 0 39 21 18 0 224472.8330 0.0300 0.050 129: 40 21 20 0 39 20 19 0 219946.1850 -0.0158 0.050 130: 41 21 21 0 40 20 20 0 223117.8800 -0.0089 0.050 131: 49 29 21 0 48 28 20 0 284683.9500 0.0437 0.050 132: 39 17 22 0 38 16 23 0 198598.9060 -0.0015 0.050 133: 41 20 22 0 40 19 21 0 218581.7260 0.0218 0.050 134: 42 20 22 0 41 19 23 0 221747.8970 0.0445 0.050 135: 44 22 23 0 43 21 22 0 237160.6130 -0.0907 0.050 136: 43 19 24 0 42 18 25 0 220356.0350 0.0333 0.050 137: 41 16 26 0 40 15 25 0 200303.0350 0.0702 0.050 138: 44 19 26 0 43 18 25 0 223511.5440 0.0613 0.200 139: 46 21 26 0 45 20 25 0 238947.0560 0.0228 0.100 140: 57 32 26 0 56 31 25 0 323617.6770 0.0278 0.050 141: 44 18 27 0 43 17 26 0 218932.2250 0.0561 0.100 142: 42 15 28 0 41 14 27 0 198784.7030 0.1674 0.100 143: 47 20 28 0 46 19 27 0 237540.9390 0.0090 0.050 144: 47 17 31 0 46 16 30 0 223708.6470 -0.0006 0.050 145: 49 19 31 0 48 18 30 0 239236.5960 -0.0339 0.050 146: 47 16 32 0 46 15 31 0 219017.3090 0.0080 0.100 147: 50 18 33 0 49 17 32 0 237725.4220 -0.0417 0.050 148: 62 30 33 0 61 29 32 0 330409.0730 0.0676 0.100 149: 61 26 36 0 60 25 35 0 309062.4430 -0.0751 0.100 150: 64 27 38 0 63 26 37 0 323072.8330 -0.0342 0.100 151: 65 26 40 0 64 25 39 0 321636.4240 -0.0417 0.050 152: 66 27 40 0 65 26 39 0 329360.7310 -0.0924 0.100 153: 69 25 45 0 68 24 44 0 329529.6510 0.1205 0.100 154: 68 24 45 0 67 23 44 0 321759.1800 0.0421 0.100 155: 67 22 46 0 66 21 45 0 309250.5160 -0.1989 0.100 ! 156: 19 19 1 1 18 18 0 1 144087.9690 -0.0112 0.050 157: 21 21 1 1 20 20 0 1 159483.8240 -0.1120 0.050 158: 29 29 1 1 28 28 0 1 221038.1700 -0.0297 0.050 159: 42 42 1 1 41 41 0 1 320929.1780 0.0527 0.050 160: 30 29 2 1 29 28 1 1 224224.0050 0.0324 0.050 161: 38 37 2 1 37 36 1 1 285716.9900 -0.0357 0.100 162: 30 28 3 1 29 27 2 1 219718.5750 0.0497 0.050 163: 33 30 4 1 32 29 3 1 238284.8670 0.0034 0.050 164: 44 41 4 1 43 40 3 1 322801.9850 -0.0467 0.100 165: 45 42 4 1 44 41 3 1 330477.9380 -0.0954 0.100 166: 31 27 5 1 30 26 4 1 218397.4110 -0.3160 0.200 167: 34 29 6 1 33 28 5 1 236964.9840 0.0305 0.050 168: 33 26 8 1 32 25 7 1 220260.3090 0.1454 0.200 169: 31 23 9 1 30 22 8 1 200362.9210 -0.0332 0.050 170: 47 39 9 1 46 38 8 1 323358.9720 -0.0501 0.050 171: 34 25 10 1 33 24 9 1 218935.3930 0.0519 0.050 172: 35 25 11 1 34 24 10 1 222118.7310 0.0317 0.050 173: 46 35 12 1 45 34 11 1 302182.7330 0.0515 0.100 174: 36 24 13 1 35 23 12 1 220789.8780 0.0438 0.050 175: 34 21 14 1 33 20 13 1 200883.1320 0.0257 0.050 176: 37 24 14 1 36 23 13 1 223971.2350 0.0109 0.050 177: 39 26 14 1 38 25 13 1 239358.0480 0.0191 0.050 178: 45 32 14 1 44 31 13 1 285492.9650 0.2087 0.100 179: 50 37 14 1 49 36 13 1 323906.5870 -0.0270 0.050 180: 37 23 15 1 36 22 14 1 219456.6190 -0.0183 0.050 181: 38 23 15 1 37 22 15 1 222636.0350 -0.0618 0.050 182: 35 20 16 1 34 19 15 1 199542.0860 -0.0379 0.050 183: 38 23 16 1 37 22 15 1 222636.0830 -0.0138 0.050 184: 40 25 16 1 39 24 15 1 238025.8350 -0.0200 0.050 185: 38 22 17 1 37 21 16 1 218117.3600 -0.0436 0.050 186: 39 22 18 1 38 21 17 1 221294.2410 0.0312 0.050 187: 37 19 19 1 36 18 18 1 201363.6220 0.0673 0.050 188: 40 22 19 1 39 21 18 1 224469.7340 0.0015 0.050 189: 40 21 20 1 39 20 19 1 219942.7900 -0.0149 0.050 190: 41 21 21 1 40 20 20 1 223114.2680 -0.0473 0.100 191: 43 23 21 1 42 22 20 1 238516.6100 -0.0232 0.050 192: 49 29 21 1 48 28 20 1 284681.7020 -0.0217 0.050 193: 52 32 21 1 51 31 20 1 307744.5400 -0.0516 0.050 194: 54 34 21 1 53 33 20 1 323112.9620 -0.0091 0.100 195: 41 20 22 1 40 19 21 1 218577.8310 -0.0031 0.100 196: 42 20 22 1 41 19 23 1 221743.8430 0.0164 0.050 197: 52 31 22 1 51 30 21 1 303234.1900 -0.0133 0.050 198: 39 17 23 1 38 16 23 1 198594.7360 0.0943 0.050 199: 44 22 23 1 43 21 22 1 237156.9450 0.0000 0.050 200: 56 34 23 1 55 33 22 1 329464.4220 0.0823 0.050 201: 43 19 24 1 42 18 25 1 220351.5580 -0.0515 0.050 202: 54 31 24 1 53 30 23 1 309583.3190 0.0836 0.050 203: 44 19 26 1 43 18 25 1 223506.9970 0.0142 0.200 204: 52 27 26 1 51 26 25 1 285161.5600 -0.0472 0.050 205: 55 30 26 1 54 29 25 1 308239.4000 -0.0013 0.050 206: 57 32 26 1 56 31 25 1 323615.5530 -0.0889 0.050 207: 46 21 26 1 45 20 25 1 238942.6810 -0.0412 0.100 208: 44 18 27 1 43 17 26 1 218927.6590 0.1069 0.100 209: 42 15 28 1 41 14 27 1 198780.3820 0.0696 0.050 210: 45 18 28 1 44 17 27 1 222071.2420 0.0098 0.050 211: 47 20 28 1 46 19 27 1 237536.2530 -0.0642 0.050 212: 59 32 28 1 58 31 27 1 329957.2900 0.0300 0.100 213: 56 28 29 1 55 27 28 1 302360.1500 0.2166 0.100 214: 47 17 31 1 46 16 30 1 223704.1100 -0.0204 0.050 215: 49 19 31 1 48 18 30 1 239231.8470 -0.0149 0.050 216: 55 25 31 1 54 24 30 1 285580.2600 0.2680 0.200 217: 47 16 32 1 46 15 31 1 219013.2890 0.0417 0.100 218: 50 18 33 1 49 17 32 1 237720.8560 -0.0407 0.050 219: 62 30 33 1 61 29 32 1 330405.9210 -0.0595 0.100 220: 61 29 33 1 60 28 32 1 322709.3930 -0.1876 0.100 221: 59 26 34 1 58 25 33 1 302756.2710 0.1861 0.100 222: 62 25 38 1 61 24 37 1 307626.2600 0.0054 0.050 223: 64 27 38 1 63 26 37 1 323068.8850 -0.0105 0.100 224: 65 26 40 1 64 25 39 1 321632.3550 0.0301 0.050 225: 66 27 40 1 65 26 39 1 329356.7960 -0.0942 0.200 226: 68 24 45 1 67 23 44 1 321755.2540 -0.0842 0.100 227: 69 25 45 1 68 24 44 1 329525.8060 0.0802 0.100 -------------------------------------------------------------------------------- PARAMETERS IN FIT: 10000 A /MHz 3853.15403(93) 1 20000 B /MHz 1701.2242(19) 2 30000 C /MHz 1483.67720(22) 3 200 DJ /kHz 0.197065(69) 4 1100 DJK /kHz 0.06636(38) 5 2000 DK /kHz 1.09825(45) 6 40100 d1 /kHz -0.038979(50) 7 50000 d2 /kHz -0.003090(17) 8 300 HJ /Hz [ 0.0000121] 9 1200 HJK /Hz [ 0.000206] 10 2100 HKJ /Hz [-0.001188] 11 3000 HK /Hz [ 0.002577] 12 40200 h1 /Hz [ 0.0000079] 13 50100 h2 /Hz [ 0.00000259] 14 60000 h3 /Hz [ 0.00000018] 15 10011 A /MHz 3851.09030(94) 16 20011 B /MHz 1697.6721(18) 17 30011 C /MHz 1483.78344(19) 18 211 DJ /kHz 0.201244(67) 19 1111 DJK /kHz 0.07275(30) 20 2011 DK /kHz 1.09460(43) 21 40111 d1 /kHz -0.039798(47) 22 50011 d2 /kHz -0.003017(15) 23 311 HJ /Hz [ 0.0000121] 24 1211 HJK /Hz [ 0.000206] 25 2111 HKJ /Hz [-0.001188] 26 3011 HK /Hz [ 0.002577] 27 40211 h1 /Hz [ 0.0000079] 28 50111 h2 /Hz [ 0.00000259] 29 60011 h3 /Hz [ 0.00000018] 30 11 DE /MHz 908385.(603) 31 200001 Ga /MHz [-976.] 32 400001 Gb /MHz [1195.] 33 MICROWAVE AVG = -0.001257 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.066877 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.86577 0.86577 distinct frequency lines in fit: 227 distinct parameters of fit: 17 for standard parameter errors previous errors are multiplied by: 0.900131 MICROWAVE lines fitted lines lines RMS RMS ERROR J range Ka range total dv=0 dv.ne.0 UNFITTD e>900 v"=0: 104 104 0 0 0 0.064142 0.85971 18 110 0 42 v"=1: 123 123 0 0 0 0.069045 0.86967 18 111 0 42 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: 10000 A /MHz 3853.15403(83) 1 20000 B /MHz 1701.2242(17) 2 30000 C /MHz 1483.67720(20) 3 200 DJ /kHz 0.197065(62) 4 1100 DJK /kHz 0.06636(34) 5 2000 DK /kHz 1.09825(40) 6 40100 d1 /kHz -0.038979(45) 7 50000 d2 /kHz -0.003090(15) 8 300 HJ /Hz [ 0.0000121] 9 1200 HJK /Hz [ 0.000206] 10 2100 HKJ /Hz [-0.001188] 11 3000 HK /Hz [ 0.002577] 12 40200 h1 /Hz [ 0.0000079] 13 50100 h2 /Hz [ 0.00000259] 14 60000 h3 /Hz [ 0.00000018] 15 10011 A /MHz 3851.09030(84) 16 20011 B /MHz 1697.6721(16) 17 30011 C /MHz 1483.78344(17) 18 211 DJ /kHz 0.201244(60) 19 1111 DJK /kHz 0.07275(27) 20 2011 DK /kHz 1.09460(38) 21 40111 d1 /kHz -0.039798(42) 22 50011 d2 /kHz -0.003017(14) 23 311 HJ /Hz [ 0.0000121] 24 1211 HJK /Hz [ 0.000206] 25 2111 HKJ /Hz [-0.001188] 26 3011 HK /Hz [ 0.002577] 27 40211 h1 /Hz [ 0.0000079] 28 50111 h2 /Hz [ 0.00000259] 29 60011 h3 /Hz [ 0.00000018] 30 11 DE /MHz 908385.(542) 31 200001 Ga /MHz [-976.] 32 400001 Gb /MHz [1195.] 33 CORRELATION COEFFICIENTS, C.ij: A B C -DJ -DJK -DK d1 d2 A 1.0000 B 0.0260 1.0000 C 0.2636 -0.6079 1.0000 -DJ 0.1829 -0.1376 0.0917 1.0000 -DJK 0.0833 -0.2708 0.2557 -0.7420 1.0000 -DK -0.3950 0.5347 -0.4361 0.4365 -0.8373 1.0000 d1 0.1666 -0.1589 0.1761 0.9935 -0.7263 0.4261 1.0000 d2 0.0225 0.0148 -0.0118 0.9563 -0.7987 0.5747 0.9585 1.0000 A -0.5944 -0.4128 0.0132 -0.0243 -0.0861 0.0768 -0.0142 0.0132 B -0.3720 -0.2648 0.0101 -0.0169 -0.0561 0.0487 -0.0103 0.0075 C -0.0318 -0.0193 -0.0022 0.0025 -0.0058 0.0049 0.0026 0.0036 -DJ -0.2376 -0.1754 0.0131 -0.0420 -0.0055 0.0064 -0.0372 -0.0266 -DJK 0.0447 0.0365 -0.0052 0.0299 -0.0163 0.0119 0.0283 0.0249 -DK 0.0146 0.0061 0.0018 -0.0178 0.0151 -0.0122 -0.0175 -0.0166 d1 -0.2154 -0.1594 0.0120 -0.0405 -0.0032 0.0043 -0.0361 -0.0265 d2 -0.1415 -0.1065 0.0092 -0.0356 0.0040 -0.0018 -0.0325 -0.0262 DE -0.7620 -0.5325 0.0173 -0.0322 -0.1122 0.0990 -0.0191 0.0163 A B C -DJ -DJK -DK d1 d2 A 1.0000 B -0.0185 1.0000 C 0.3057 -0.5768 0.0000 -DJ 0.3828 -0.0716 0.1241 0.0000 -DJK 0.0168 -0.3684 0.2742 -0.6791 0.0000 -DK -0.4022 0.6110 -0.4515 0.2994 -0.8022 0.0000 d1 0.3524 -0.0916 0.1962 0.9940 -0.6742 0.3011 0.0000 d2 0.1603 0.0603 0.0130 0.9412 -0.7693 0.4736 0.9507 0.0000 DE 0.7779 0.4907 0.0405 0.3154 -0.0599 -0.0175 0.2862 0.1890 DE DE 0.0000 Mean value of |C.ij|, i.ne.j = 0.2221 Mean value of C.ij, i.ne.j = 0.0029 Worst fitting lines (obs-calc/error): 114: 2.9 111: 2.6 157: -2.2 213: 2.2 178: 2.1 155: -2.0 82: -2.0 198: 1.9 9: 1.9 220: -1.9 221: 1.9 135: -1.8 112: 1.8 48: -1.8 206: -1.8 105: -1.7 142: 1.7 202: 1.7 200: 1.6 166: -1.6 102: -1.5 122: -1.5 75: 1.5 7: -1.5 137: 1.4 209: 1.4 86: -1.4 68: -1.3 187: 1.3 216: 1.3 83: 1.3 35: -1.3 211: -1.3 104: -1.2 181: -1.2 153: 1.2 4: 1.2 59: 1.2 81: -1.1 120: -1.1 31: 1.1 32: 1.1 79: -1.1 80: 1.1 208: 1.1 33: 1.1 127: -1.1 159: 1.1 171: 1.0 193: -1.0 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM