1,2-dichlorobenzene: parent, nu11 @ 202 cm-1 Thu Apr 02 10:55:05 2020 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! ! NU_11 (202cm-1, Green1970) ! 1:114 0114 113 0113 187865.1682 0.0010 0.050 2:115 0115 114 0114 189504.5061 0.0254 0.050 3:163 0163 162 0162 268142.4932 -0.0379 0.050 4:164 0164 163 0163 269779.6911 0.0177 0.050 5:165 0165 164 0164 271416.7343 -0.0289 0.050 6:166 0166 165 0165 273053.8174 0.0166 0.050 7:167 0167 166 0166 274690.7808 -0.0044 0.050 ! 8:113 1112 112 1111 187870.7783 0.0035 0.050 9:162 1161 161 1160 268148.2733 0.0281 0.050 10:163 1162 162 1161 269785.3955 0.0053 0.050 11:164 1163 163 1162 271422.4734 -0.0095 0.050 12:165 1164 164 1163 273059.5051 -0.0181 0.050 13:166 1165 165 1164 274696.5217 0.0110 0.050 ! 14:112 2110 111 2109 187876.2498 0.0069 0.050 15:161 2159 160 2158 268153.7194 -0.0031 0.050 16:162 2160 161 2159 269790.8699 0.0013 0.050 17:163 2161 162 2160 271427.8962 -0.0660 0.050 18:164 2162 163 2161 273064.9911 -0.0125 0.050 19:165 2163 164 2162 274702.0109 0.0189 0.050 ! 20:111 3108 110 3107 187881.6040 -0.0002 0.050 21:160 3157 159 3156 268159.0060 0.0228 0.050 22:161 3158 160 3157 269796.1118 -0.0162 0.050 23:162 3159 161 3158 271433.2224 0.0016 0.050 24:163 3160 162 3159 273070.3101 0.0490 0.050 25:164 3161 163 3160 274707.2465 -0.0019 0.050 ! 26:159 4155 158 4154 268164.0644 0.0168 0.050 27:160 4156 159 4155 269801.1816 -0.0075 0.050 28:161 4157 160 4156 271438.2693 -0.0094 0.050 29:162 4158 161 4157 273075.3197 0.0038 0.050 30:163 4159 162 4158 274712.2926 -0.0076 0.050 ! 31:108 5103 107 5102 186252.8218 -0.0051 0.050 32:158 5153 157 5152 268168.9278 -0.0101 0.050 33:159 5154 158 5153 269805.9635 -0.1106 0.050 34:160 5155 159 5154 271443.2169 0.0588 0.050 35:161 5156 160 5155 273080.1011 -0.0886 0.050 36:162 5157 161 5156 274717.1756 0.0070 0.050 ! 37:108 6102 107 6101 187897.4448 0.0091 0.050 38:157 6151 156 6150 268173.7013 0.0231 0.050 39:158 6152 157 6151 269810.7348 -0.0712 0.050 40:159 6153 158 6152 271447.9046 0.0226 0.050 41:160 6154 159 6153 273084.9086 0.0029 0.050 42:161 6155 160 6154 274721.8521 -0.0244 0.050 ! 43:156 7149 155 7148 268178.3275 0.0341 0.050 44:157 7150 156 7149 269815.4368 0.0265 0.050 45:158 7151 157 7150 271452.4220 -0.0532 0.050 46:159 7152 158 7151 273089.4715 -0.0166 0.050 47:160 7153 159 7152 274726.5280 0.0796 0.050 ! 48:108 8100 107 8 99 191186.6829 -0.0051 0.050 49:155 8147 154 8146 268182.8310 0.0202 0.050 50:156 8148 155 8147 269819.8979 -0.0157 0.050 51:157 8149 156 8148 271456.9738 0.0091 0.050 52:158 8150 157 8149 273093.9952 0.0316 0.050 53:159 8151 158 8150 274730.9524 0.0423 0.050 ! 54:105 9 96 104 9 95 187913.9304 -0.0197 0.050 55:154 9145 153 9144 268187.2590 -0.0008 0.050 56:155 9146 154 9145 269824.3577 0.0125 0.050 57:156 9147 155 9146 271461.3648 -0.0139 0.050 58:157 9148 156 9147 273098.3930 0.0326 0.050 59:158 9149 157 9148 274735.3348 0.0451 0.050 ! 60:103 10 93 102 10 92 186280.7045 -0.0385 0.050 61:153 10143 152 10142 268191.7082 0.0359 0.050 62:154 10144 153 10143 269828.7047 -0.0313 0.050 63:155 10145 154 10144 271465.7424 -0.0059 0.050 64:156 10146 155 10145 273102.7113 0.0023 0.050 65:157 10147 156 10146 274739.6038 -0.0136 0.050 ! 66:153 11142 152 11141 269833.1460 0.0255 0.050 67:154 11143 153 11142 271470.1046 -0.0026 0.050 68:155 11144 154 11143 273107.0055 -0.0369 0.050 69:156 11145 155 11144 274743.8606 -0.0653 0.050 ! 70:151 12139 150 12138 268200.6037 0.0757 0.050 71:152 12140 151 12139 269837.5296 -0.0055 0.050 72:153 12141 152 12140 271474.4785 -0.0129 0.050 73:154 12142 153 12141 273111.4099 0.0132 0.050 74:155 12143 154 12142 274748.2538 0.0034 0.050 ! 75:101 13 88 100 13 87 187940.5164 -0.0073 0.050 76:103 13 90 102 13 89 191218.2678 -0.0209 0.050 77:150 13137 149 13136 268205.0763 0.0268 0.050 78:152 13139 151 13138 271478.9561 0.0154 0.050 79:153 13140 152 13139 273115.8214 0.0109 0.050 80:154 13141 153 13140 274752.6376 0.0083 0.050 ! 81:149 14135 148 14134 268209.7867 0.0952 0.050 82:150 14136 149 14135 269846.6017 -0.0179 0.050 83:151 14137 150 14136 271483.5034 0.0053 0.050 84:152 14138 151 14137 273120.3352 0.0088 0.050 85:153 14139 152 14138 274757.0796 -0.0245 0.050 ! 86:101 15 86 100 15 85 191235.0517 -0.0049 0.050 87:148 15133 147 15132 268214.4748 -0.0282 0.050 88:149 15134 148 15133 269851.3307 -0.0507 0.050 89:151 15136 150 15135 273125.0292 0.0384 0.050 90:152 15137 151 15136 274761.7216 0.0007 0.050 ! 91:148 16132 147 16131 269856.4132 0.0546 0.050 92:149 16133 148 16132 271493.1569 0.0261 0.050 93:150 16134 149 16133 273129.8604 0.0060 0.050 94:151 16135 150 16134 274766.4910 -0.0381 0.050 ! 95: 98 17 81 97 17 80 189617.9549 -0.0070 0.050 96:146 17129 145 17128 268224.8607 0.0048 0.050 97:147 17130 146 17129 269861.6548 0.0459 0.050 98:148 17131 147 17130 271498.3223 0.0074 0.050 99:149 17132 148 17131 273135.0001 0.0267 0.050 100:150 17133 149 17132 274771.5571 -0.0269 0.050 ! 101:145 18127 144 18126 268230.5235 0.0017 0.050 102:146 18128 145 18127 269867.1166 -0.0800 0.050 103:147 18129 146 18128 271503.8210 -0.0050 0.050 104:148 18130 147 18129 273140.3897 -0.0195 0.050 ! 105:144 19125 143 19124 268236.5424 -0.0663 0.050 106:145 19126 144 19125 269873.1803 -0.0129 0.050 107:146 19127 145 19126 271509.7369 0.0030 0.050 108:148 19129 147 19128 274782.6945 0.0133 0.050 ! 109: 94 20 74 93 20 73 188026.3538 -0.0530 0.050 110: 95 20 75 94 20 74 189663.3545 -0.0041 0.050 111: 96 20 76 95 20 75 191300.3400 -0.0246 0.050 112:143 20123 142 20122 268243.2008 0.0034 0.050 113:144 20124 143 20123 269879.6712 -0.0061 0.050 114:145 20125 144 20124 271516.1197 0.0042 0.050 115:147 20127 146 20126 274788.8546 -0.0092 0.050 ! 116: 92 21 71 91 21 70 186410.9779 -0.0211 0.050 117: 95 21 74 94 21 73 191319.9641 -0.0291 0.050 118:142 21121 141 21120 268250.3622 -0.0158 0.050 119:143 21122 142 21121 269886.8024 0.0654 0.050 120:144 21123 143 21122 271523.0862 0.0294 0.050 121:146 21125 145 21124 274795.5822 0.0065 0.050 ! 122: 92 22 70 91 22 69 188071.6922 0.0025 0.050 123: 93 22 71 92 22 70 189707.2561 0.0086 0.050 124: 94 22 72 93 22 71 191342.9012 -0.0267 0.050 125:141 22119 140 22118 268258.3122 0.0611 0.050 126:142 22120 141 22119 269894.5294 0.0591 0.050 127:144 22122 143 22121 273166.8403 0.0409 0.050 128:145 22123 144 22122 274802.9155 0.0078 0.050 ! 129:140 23117 139 23116 268266.9119 -0.0174 0.050 130:141 23118 140 23117 269903.0132 0.0263 0.050 131:142 23119 141 23118 271539.0108 -0.0013 0.050 132:143 23120 142 23119 273174.9918 -0.0121 0.050 133:144 23121 143 23120 274810.9912 0.0295 0.050 ! 134:139 24115 138 24114 268276.5384 -0.0015 0.050 135:140 24116 139 24115 269912.4116 0.0012 0.050 136:141 24117 140 24116 271548.2763 0.0231 0.050 137:142 24118 141 24117 273184.0694 0.0023 0.050 138:143 24119 142 24118 274819.9406 0.0896 0.050 ! 139: 90 25 65 89 25 64 189807.3695 0.0914 0.050 140: 91 25 66 90 25 65 191439.4243 0.0442 0.050 141:138 25113 137 25112 268287.1316 -0.0939 0.050 142:139 25114 138 25113 269922.7910 -0.0884 0.050 143:141 25116 140 25115 273194.0805 -0.0392 0.050 144:142 25117 141 25116 274829.7174 0.0140 0.050 ! 145: 87 26 61 86 26 60 186595.0714 -0.0829 0.050 146: 88 26 62 87 26 61 188224.3564 -0.0465 0.050 147: 90 26 64 89 26 63 191484.3945 0.0285 0.050 148:137 26111 136 26110 268299.1404 -0.0073 0.050 149:138 26112 137 26111 269934.5167 -0.0341 0.050 150:139 26113 138 26112 271569.9290 -0.0097 0.050 151:140 26114 139 26113 273205.3216 0.0119 0.050 152:141 26115 140 26114 274840.6204 -0.0415 0.050 ! 153: 88 27 61 87 27 60 189910.5125 -0.0175 0.050 154: 89 27 62 88 27 61 191538.3827 0.0655 0.050 155:136 27109 135 27108 268312.5150 0.0253 0.050 156:137 27110 136 27109 269947.5786 -0.0233 0.050 157:138 27111 137 27110 271582.7114 0.0041 0.050 158:139 27112 138 27111 273217.8103 0.0068 0.050 ! 159: 86 28 58 85 28 57 188355.0138 0.0217 0.050 160: 87 28 59 86 28 58 189978.8473 0.0773 0.050 161: 88 28 60 87 28 59 191603.4734 0.0549 0.050 162:136 28108 135 28107 269962.1929 -0.0414 0.050 163:137 28109 136 28108 271597.0219 0.0098 0.050 164:139 28111 138 28110 274866.4749 -0.0913 0.050 ! 165: 84 29 55 83 29 54 186824.6256 0.0145 0.050 166: 85 29 56 84 29 55 188442.6714 0.0410 0.050 167: 87 29 58 86 29 57 191682.4997 -0.0185 0.050 168:134 29105 133 29104 268344.3060 0.0102 0.050 169:136 29107 135 29106 271613.0566 -0.0185 0.050 170:137 29108 136 29107 273247.5390 0.0546 0.050 171:138 29109 137 29108 274881.8855 -0.0172 0.050 ! 172: 83 30 53 82 30 52 186939.2666 0.0071 0.050 173: 84 30 54 83 30 53 188550.8782 0.0394 0.050 174: 85 30 55 84 30 54 190164.3527 0.0768 0.050 175: 86 30 56 85 30 55 191779.4229 0.0293 0.050 176:133 30103 132 30102 268363.2483 -0.0218 0.050 177:134 30104 133 30103 269997.1053 -0.0898 0.050 178:135 30105 134 30104 271631.2409 0.0908 0.050 179:136 30106 135 30105 273265.1489 0.0180 0.050 180:137 30107 136 30106 274899.0488 -0.0854 0.050 ! 181: 85 31 54 84 31 53 191899.1234 -0.0295 0.050 182:132 31101 131 31100 268384.6892 -0.0066 0.050 183:133 31102 132 31101 270017.9830 -0.1046 0.050 184:134 31103 133 31102 271651.6033 0.0762 0.050 185:135 31104 134 31103 273284.9573 -0.0524 0.050 186:136 31105 135 31104 274918.5182 -0.0128 0.050 ! 187: 81 32 49 80 32 48 187266.1575 0.0863 0.050 188: 82 32 50 81 32 49 188856.6791 0.0573 0.050 189:131 32 99 130 32 98 268408.8739 -0.0599 0.050 190:132 32100 131 32 99 270041.6809 -0.0215 0.050 191:133 32101 132 32100 271674.5490 0.0085 0.050 192:134 32102 133 32101 273307.4424 0.0000 0.050 193:135 32103 134 32102 274940.3005 -0.1022 0.050 ! 194: 83 33 50 82 33 49 192238.7335 0.0401 0.050 195:130 33 97 129 33 96 268436.3972 -0.0054 0.050 196:131 33 98 130 33 97 270068.4752 0.0339 0.050 197:132 33 99 131 33 98 271700.5958 0.0199 0.050 198:133 33100 132 33 99 273332.8405 0.0409 0.050 199:134 33101 133 33100 274965.1951 0.0894 0.050 ! 200: 78 34 44 77 34 43 186281.7599 0.0372 0.050 0.0847 0.50 ! 201: 78 35 44 77 35 43 186281.7599 0.1320 0.050 0.0847 0.50 202: 80 34 46 79 34 45 189364.3332 -0.0157 0.050 203:129 34 95 128 34 94 268467.5694 -0.0196 0.050 204:130 34 96 129 34 95 270098.7772 0.0070 0.050 205:133 34 99 132 34 98 274992.9600 -0.0915 0.050 ! 206: 77 35 42 76 35 41 186764.0029 -0.0457 0.050 207: 78 35 43 77 35 42 188249.7864 -0.0577 0.050 208: 79 35 44 78 35 43 189754.4364 -0.0510 0.050 0.0854 0.50 209: 79 36 44 78 36 43 189754.4364 0.2218 0.050 0.0854 0.50 210: 80 35 45 79 35 44 191274.4637 -0.0222 0.050 0.0225 0.50 211: 80 36 45 79 36 44 191274.4637 0.0672 0.050 0.0225 0.50 212:132 35 97 131 35 96 275024.7727 0.0547 0.050 ! 213: 75 36 39 74 36 38 186188.5240 -0.0658 0.050 214: 76 36 40 75 36 39 187500.6549 -0.0576 0.050 215: 77 36 41 76 36 40 188882.2966 -0.0516 0.050 216: 79 36 43 78 36 42 191767.3104 -0.0333 0.050 217:131 36 95 130 36 94 275060.6307 -0.0307 0.050 ! 218:126 37 89 125 37 88 268589.6131 -0.0499 0.050 219:127 37 90 126 37 89 270217.2353 0.0058 0.050 220:128 37 91 127 37 90 271845.0368 -0.0379 0.050 221:129 37 92 128 37 91 273473.1459 -0.0356 0.050 222:130 37 93 129 37 92 275101.5431 0.0091 0.050 ! 223:125 38 87 124 38 86 268642.5229 0.0029 0.050 224:128 38 90 127 38 89 273521.2505 0.0325 0.050 225:129 38 91 128 38 90 275148.1576 0.0544 0.050 ! 226:124 39 85 123 39 84 268703.2015 0.0175 0.050 227:125 39 86 124 39 85 270327.1625 0.1016 0.050 228:126 39 87 125 39 86 271951.4755 0.0883 0.050 229:128 39 89 127 39 88 275201.2511 -0.0269 0.050 ! 230: 73 41 32 72 41 31 186979.8471 -0.0609 0.050 231: 74 41 33 73 41 32 191347.7944 -0.0144 0.050 ! 232:110 51 59 109 51 58 268234.1551 -0.0749 0.050 0.0527 0.50 ! 233:110 52 59 109 52 58 268234.1551 0.1803 0.050 0.0527 0.50 234:111 51 60 110 51 59 269689.9030 -0.0695 0.050 -0.0251 0.50 235:111 52 60 110 52 59 269689.9030 0.0194 0.050 -0.0251 0.50 ! 236:109 52 57 108 52 56 269004.4264 -0.0471 0.050 237:110 52 58 109 52 57 270386.7990 0.0110 0.050 238:111 52 59 110 52 58 271797.2930 0.0425 0.050 239:112 52 60 111 52 59 273230.7037 -0.1529 0.050 -0.0350 0.50 240:112 53 60 111 53 59 273230.7037 0.0829 0.050 -0.0350 0.50 241:113 52 61 112 52 60 274683.8811 -0.0517 0.050 -0.0106 0.50 242:113 53 61 112 53 60 274683.8811 0.0306 0.050 -0.0106 0.50 ! 243:106 53 53 105 53 52 268014.6417 0.0749 0.050 244:107 53 54 106 53 53 268993.1427 -0.0132 0.050 245:109 53 56 108 53 55 271364.2955 0.0019 0.050 246:111 53 58 110 53 57 274008.0528 -0.1114 0.050 ! 247:103 54 49 102 54 48 273043.0191 -0.0481 0.050 248:108 54 54 107 54 53 273004.4358 0.0262 0.050 249:110 54 56 109 54 55 275135.3145 0.0179 0.050 ! 250:113 1113 112 1112 186225.8547 0.0373 0.050 251:116 1116 115 1115 191143.7659 0.0084 0.050 ! 252:112 2111 111 2110 186231.4525 0.0290 0.050 253:114 2113 113 2112 189510.1097 0.0200 0.050 254:115 2114 114 2113 191149.3803 0.0124 0.050 ! 255:111 3109 110 3108 186236.9080 0.0156 0.050 256:113 3111 112 3110 189515.5613 0.0041 0.050 257:114 3112 113 3111 191154.8604 0.0256 0.050 ! 258:110 4107 109 4106 186242.2521 -0.0050 0.050 259:112 4109 111 4108 189520.9079 -0.0072 0.050 260:113 4110 112 4109 191160.2075 0.0180 0.050 ! 261:109 5105 108 5104 186247.5588 0.0041 0.050 262:110 5106 109 5105 187886.8821 -0.0129 0.050 263:111 5107 110 5106 189526.2444 0.0450 0.050 264:112 5108 111 5107 191165.4744 0.0070 0.050 ! 265:109 6104 108 6103 187892.1630 0.0063 0.050 266:110 6105 109 6104 189531.4442 -0.0062 0.050 267:111 6106 110 6105 191170.7131 0.0051 0.050 ! 268:107 7101 106 7100 186258.0902 -0.0315 0.050 269:109 7103 108 7102 189536.7193 0.0053 0.050 270:110 7104 109 7103 191175.9481 -0.0083 0.050 ! 271:106 8 99 105 8 98 186263.5349 0.0414 0.050 272:107 8100 106 8 99 187902.7647 -0.0207 0.050 273:108 8101 107 8100 189542.0363 -0.0060 0.050 274:109 8102 108 8101 191181.2264 -0.0373 0.050 ! 275:105 9 97 104 9 96 186269.0162 0.0116 0.050 276:106 9 98 105 9 97 187908.2303 -0.0366 0.050 277:107 9 99 106 9 98 189547.5373 0.0423 0.050 ! 278:104 10 95 103 10 94 186274.7140 -0.0127 0.050 279:106 10 97 105 10 96 189553.1365 -0.0036 0.050 280:107 10 98 106 10 97 191192.2656 -0.0306 0.050 ! 281:104 11 94 103 11 93 187919.8929 -0.0230 0.050 282:105 11 95 104 11 94 189559.0611 0.0044 0.050 283:106 11 96 105 11 95 191198.1595 -0.0052 0.050 ! 284:102 12 91 101 12 90 186287.1244 -0.0257 0.050 285:103 12 92 102 12 91 187926.2398 -0.0180 0.050 286:104 12 93 103 12 92 189565.3030 -0.0323 0.050 287:105 12 94 104 12 93 191204.3400 -0.0418 0.050 ! 288:101 13 89 100 13 88 186294.0394 -0.0205 0.050 289:102 13 90 101 13 89 187933.0166 -0.0682 0.050 290:103 13 91 102 13 90 189572.1078 0.0260 0.050 291:104 13 92 103 13 91 191211.0198 -0.0303 0.050 ! 292:100 14 87 99 14 86 186301.5848 -0.0190 0.050 293:102 14 89 101 14 88 189579.3986 -0.0202 0.050 ! 294: 99 15 85 98 15 84 186309.9291 -0.0072 0.050 295:100 15 86 99 15 85 187948.7496 0.0261 0.050 296:101 15 87 100 15 86 189587.4889 -0.0016 0.050 297:102 15 88 101 15 87 191226.2342 -0.0022 0.050 ! 298: 99 16 84 98 16 83 187957.8844 0.0248 0.050 299:100 16 85 99 16 84 189596.4662 0.0003 0.050 ! 300: 97 17 81 96 17 80 186329.8311 0.1030 0.050 301: 98 17 82 97 17 81 187968.1051 -0.0341 0.050 302: 99 17 83 98 17 82 189606.5362 -0.0079 0.050 303:100 17 84 99 17 83 191244.8437 -0.0972 0.050 ! 304: 97 18 80 96 18 79 187979.7952 -0.0135 0.050 305: 99 18 82 98 18 81 191256.0915 -0.0251 0.050 ! 306: 95 19 77 94 19 76 186355.3343 -0.0077 0.050 307: 96 19 78 95 19 77 187993.1605 -0.0019 0.050 308: 98 19 80 97 19 79 191268.9606 0.1070 0.050 ! 309: 94 20 75 93 20 74 186371.1477 0.0031 0.050 310: 95 20 76 94 20 75 188008.4983 -0.0547 0.050 311: 96 20 77 95 20 76 189645.9656 -0.0319 0.050 312: 97 20 78 96 20 77 191283.4021 -0.0717 0.050 ! 313: 93 21 73 92 21 72 186389.4715 -0.0435 0.050 ! 314: 91 23 69 90 23 68 186436.2438 -0.0216 0.050 ! 315: 90 24 67 89 24 66 186466.1614 0.0199 0.050 316: 91 24 68 90 24 67 188100.5157 -0.0154 0.050 ! 317: 89 25 65 88 25 64 186501.6935 0.0358 0.050 318: 92 25 68 91 25 67 191401.7251 0.0658 0.050 ! 319: 86 28 59 85 28 58 186656.8941 -0.0185 0.050 320: 87 28 60 86 28 59 188283.4176 0.0413 0.050 ! 321: 85 29 57 84 29 56 186732.1499 -0.0164 0.050 ! 322: 86 30 57 85 30 56 190062.0375 0.0650 0.050 ! 323: 82 32 51 81 32 50 187083.1154 0.0336 0.050 ! 324: 80 34 47 79 34 46 187503.1658 0.0344 0.050 325: 81 34 48 80 34 47 189076.1050 0.0136 0.050 326: 82 34 49 81 34 48 190654.8690 0.0201 0.050 327: 79 35 45 78 35 44 187817.7174 0.0383 0.050 328: 81 35 47 80 35 46 190920.0877 0.0116 0.050 ! 329: 77 36 42 76 36 41 186761.6276 -0.0516 0.050 330: 78 36 43 77 36 42 188249.0659 0.0356 0.050 331:128 36 93 127 36 92 268503.1037 0.0418 0.050 ! 332: 75 37 39 74 37 38 186071.2546 -0.0047 0.050 333: 76 37 40 75 37 39 187454.8801 -0.0739 0.050 334: 77 37 41 76 37 40 188865.1078 -0.0428 0.050 335: 78 37 42 77 37 41 190302.7195 -0.0209 0.050 336: 79 37 43 78 37 42 191765.1255 -0.0054 0.050 ! 337: 75 38 38 74 38 37 188368.9170 -0.0509 0.050 338: 76 38 39 75 38 38 189733.3076 -0.0055 0.050 339: 77 38 40 76 38 39 191092.3491 -0.0079 0.050 ! 340: 74 39 36 73 39 35 188733.0623 0.0814 0.050 341: 75 39 37 74 39 36 190481.2052 0.0071 0.050 342: 76 39 38 75 39 37 192007.1751 -0.0062 0.050 ! 343:123 41 83 122 41 82 268772.9469 -0.0620 0.050 344:124 41 84 123 41 83 270394.5451 0.0703 0.050 345:126 41 86 125 41 85 273639.1218 0.0460 0.050 ! 346:122 42 81 121 42 80 268853.6435 0.0036 0.050 347:123 42 82 122 42 81 270472.1743 -0.0210 0.050 348:124 42 83 123 42 82 272091.4218 -0.0481 0.050 349:125 42 84 124 42 83 273711.4944 0.0767 0.050 ! 350:121 43 79 120 43 78 268947.0764 -0.0179 0.050 351:122 43 80 121 43 79 270562.1680 0.0532 0.050 352:123 43 81 122 43 80 272178.0414 -0.0058 0.050 353:124 43 82 123 43 81 273794.8233 -0.0082 0.050 ! 354:120 44 77 119 44 76 269055.8875 0.0150 0.050 355:122 44 79 121 44 78 272278.3490 -0.0762 0.050 356:123 44 80 122 44 79 273891.3474 -0.0165 0.050 ! 357:119 45 75 118 45 74 269183.1118 0.0023 0.050 358:120 45 76 119 45 75 270788.4692 -0.0019 0.050 359:121 45 77 120 45 76 272395.3345 0.0154 0.050 360:122 45 78 121 45 77 274003.5996 0.0520 0.050 0.0202 0.62 361:111 54 58 110 54 57 274003.5996 -0.0319 0.050 0.0202 0.38 ! 362:118 46 73 117 46 72 269332.7919 0.0000 0.050 363:119 46 74 118 46 73 270931.5135 0.0035 0.050 364:121 46 76 120 46 75 274134.5201 -0.0339 0.050 ! 365:117 47 71 116 47 70 269510.0595 -0.0117 0.050 366:120 47 74 119 47 73 274288.5310 0.1208 0.050 ! 367:115 48 68 114 48 67 268145.6614 -0.0185 0.050 368:116 48 69 115 48 68 269721.7641 0.0302 0.050 369:118 48 71 117 48 70 272884.4243 0.0822 0.050 370:119 48 72 118 48 71 274470.3702 0.0590 0.050 ! 371:114 49 66 113 49 65 268416.0591 0.0304 0.050 372:115 49 67 114 49 66 269976.8969 -0.0329 0.050 373:116 49 68 115 49 67 271542.6433 -0.0555 0.050 374:117 49 69 116 49 68 273112.8793 -0.0050 0.050 375:118 49 70 117 49 69 274687.0861 -0.0028 0.050 ! 376:113 50 64 112 50 63 268747.7392 -0.0061 0.050 377:114 50 65 113 50 64 270288.3072 -0.0490 0.050 378:115 50 66 114 50 65 271835.6552 -0.0432 0.050 379:116 50 67 115 50 66 273389.0710 -0.0188 0.050 380:117 50 68 116 50 67 274947.8513 -0.0865 0.050 ! 381:112 51 62 111 51 61 269161.6580 -0.0114 0.050 382:113 51 63 112 51 62 270674.2519 -0.0341 0.050 383:114 51 64 113 51 63 272196.5947 0.0887 0.050 384:115 51 65 114 51 64 273727.1908 -0.0567 0.050 385:116 51 66 115 51 65 275265.5997 0.0108 0.050 386:112 52 61 111 52 60 271162.2689 -0.0252 0.050 387:113 52 62 112 52 61 272648.9987 -0.0030 0.050 388:114 52 63 113 52 62 274148.2280 0.0454 0.050 ! 389:109 53 57 108 53 56 268999.6018 0.0520 0.050 390:110 53 58 109 53 57 270385.0097 0.0485 0.050 391:111 53 59 110 53 58 271796.6806 0.0933 0.050 ! 392:107 54 54 106 54 53 268809.4771 -0.0067 0.050 393:108 54 55 107 54 54 270053.7631 0.0548 0.050 394:110 54 57 109 54 56 272651.2631 -0.0380 0.050 ! 395:105 55 51 104 55 50 268689.8083 0.0400 0.050 396:106 55 52 105 55 51 270116.1265 -0.0717 0.050 397:107 55 53 106 55 52 271393.6981 -0.0246 0.050 398:108 55 54 107 55 53 272610.8812 -0.0738 0.050 399:109 55 55 108 55 54 273824.9912 -0.0352 0.050 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 1929.56180(66) 1 20000 B /MHz 1432.27913(53) 2 30000 C /MHz 820.706599(68) 3 200 DJ /kHz 0.042072(45) 4 1100 DJK /kHz -0.02393(75) 5 2000 DK /kHz 0.4625(21) 6 40100 dJ /kHz 0.014416(23) 7 41000 dK /kHz 0.02244(46) 8 300 HJ /Hz [ 0.] 9 1200 HJK /Hz [ 0.] 10 2100 HKJ /Hz [ 0.] 11 3000 HK /Hz [ 0.] 12 40200 hJ /Hz [ 0.] 13 41100 hJK /Hz [ 0.] 14 42000 hK /Hz 0.0001846(49) 15 MICROWAVE AVG = 0.000020 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.040955 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.81909 0.81909 distinct frequency lines in fit: 391 distinct parameters of fit: 9 upper state lower state overall limits of quantum number 1: 73 167 72 166 72 167 limits of quantum number 2: 0 55 0 55 0 55 limits of quantum number 3: 32 167 31 166 31 167 frequency range: 186071 275265 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 1929.56180(55) 1 20000 B /MHz 1432.27913(44) 2 30000 C /MHz 820.706599(56) 3 200 DJ /kHz 0.042072(37) 4 1100 DJK /kHz -0.02393(62) 5 2000 DK /kHz 0.4625(18) 6 40100 dJ /kHz 0.014417(19) 7 41000 dK /kHz 0.02244(38) 8 300 HJ /Hz [ 0.] 9 1200 HJK /Hz [ 0.] 10 2100 HKJ /Hz [ 0.] 11 3000 HK /Hz [ 0.] 12 40200 hJ /Hz [ 0.] 13 41100 hJK /Hz [ 0.] 14 42000 hK /Hz 0.0001846(41) 15 CORRELATION COEFFICIENTS, C.ij: A B C -DJ -DJK -DK -dJ -dK A 1.0000 B -0.4956 1.0000 C -0.1768 -0.2411 1.0000 -DJ 0.6562 -0.9180 0.1261 1.0000 -DJK 0.4891 -0.5838 0.0874 0.8164 1.0000 -DK -0.5699 0.6619 -0.0926 -0.8780 -0.9919 1.0000 -dJ 0.6447 -0.9227 0.1521 0.9995 0.8151 -0.8764 1.0000 -dK 0.5563 -0.6608 0.1121 0.8755 0.9922 -0.9992 0.8741 1.0000 hK -0.2330 -0.4046 -0.1073 0.2783 0.1066 -0.1111 0.2846 0.0970 hK hK 1.0000 Mean value of |C.ij|, i.ne.j = 0.5247 Mean value of C.ij, i.ne.j = 0.0101 Worst correlations, with absolute value greater than 0.9950: 40100 -dJ <-> 200 -DJ 0.999526 41000 -dK <-> 2000 -DK -0.999228 Worst fitted lines (obs-calc/error): 366: 2.4 246: -2.2 33: -2.2 308: 2.1 183: -2.1 300: 2.1 193: -2.0 227: 2.0 303: -1.9 81: 1.9 141: -1.9 391: 1.9 205: -1.8 139: 1.8 164: -1.8 178: 1.8 177: -1.8 138: 1.8 199: 1.8 383: 1.8 35: -1.8 142: -1.8 228: 1.8 380: -1.7 187: 1.7 180: -1.7 208: 1.7 200: 1.7 145: -1.7 369: 1.6 340: 1.6 102: -1.6 47: 1.6 160: 1.5 174: 1.5 349: 1.5 184: 1.5 355: -1.5 70: 1.5 243: 1.5 333: -1.5 398: -1.5 396: -1.4 312: -1.4 39: -1.4 344: 1.4 289: -1.4 105: -1.3 17: -1.3 213: -1.3 366:120 47 74 119 47 73 274288.5310 0.1208 0.050 246:111 53 58 110 53 57 274008.0528 -0.1114 0.050 33:159 5154 158 5153 269805.9635 -0.1106 0.050 308: 98 19 80 97 19 79 191268.9606 0.1070 0.050 183:133 31102 132 31101 270017.9830 -0.1046 0.050 300: 97 17 81 96 17 80 186329.8311 0.1030 0.050 193:135 32103 134 32102 274940.3005 -0.1022 0.050 227:125 39 86 124 39 85 270327.1625 0.1016 0.050 303:100 17 84 99 17 83 191244.8437 -0.0972 0.050 81:149 14135 148 14134 268209.7867 0.0952 0.050 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM