1,1,1-trichloroethane, double 37Cl species Sun Nov 15 15:37:09 2015 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= 1: 7 5 2 6 4 2 32175.8220 -0.0224 0.700 2: 7 4 4 6 3 4 32306.3700 0.1898 0.700 ! 3: 26 26 0 25 25 0 121380.5670 -0.0129 0.030 -0.0183 0.50 4: 26 26 1 25 25 1 121380.5670 -0.0235 0.030 -0.0183 0.50 ! 5: 27 23 5 26 22 5 124514.8920 0.0006 0.030 6: 27 18 10 26 17 10 124504.6710 -0.0210 0.030 -0.0091 0.50 7: 27 17 10 26 16 10 124504.6710 0.0029 0.030 -0.0091 0.50 8: 27 15 12 26 14 12 124547.7320 -0.0125 0.030 9: 27 12 15 26 11 15 124582.9490 -0.0139 0.030 10: 27 9 18 26 8 18 124602.9210 -0.0175 0.030 11: 27 7 20 26 6 20 124612.1640 -0.0120 0.030 12: 27 6 21 26 5 21 124616.0340 -0.0102 0.030 ! 13: 36 29 8 35 28 8 165700.5110 -0.0147 0.030 14: 36 27 9 35 26 9 165698.9780 0.0342 0.030 15: 36 28 9 35 27 9 165747.3420 0.0469 0.030 16: 36 26 11 35 25 11 165884.8640 -0.0457 0.030 17: 36 24 12 35 23 12 165931.1840 0.0169 0.030 18: 36 23 13 35 22 13 165966.4070 0.0455 0.030 19: 36 22 14 35 21 14 165993.9130 0.0270 0.030 20: 36 21 15 35 20 15 166016.0060 0.0322 0.030 21: 36 20 16 35 19 16 166034.0600 -0.0094 0.030 22: 36 19 17 35 18 17 166049.1770 0.0205 0.030 23: 36 18 18 35 17 18 166061.9170 -0.0124 0.030 24: 36 16 20 35 15 20 166082.4510 0.0310 0.030 25: 36 15 21 35 14 21 166090.7840 -0.0116 0.030 26: 36 14 22 35 13 22 166098.2260 -0.0118 0.030 27: 39 39 0 38 38 0 182117.9920 -0.0060 0.030 ! 28: 40 32 8 39 31 8 183465.2010 -0.0513 0.030 29: 40 33 8 39 32 8 184106.8800 -0.0158 0.030 30: 40 32 9 39 31 9 184067.6960 -0.0213 0.030 31: 40 30 10 39 29 10 184103.1600 0.0377 0.030 32: 40 31 10 39 30 10 184137.2480 0.0166 0.030 33: 40 30 11 39 29 11 184220.0150 -0.0645 0.030 34: 40 27 13 39 26 13 184335.8130 -0.0129 0.030 -0.0232 0.50 35: 40 28 13 39 27 13 184335.8130 -0.0334 0.030 -0.0232 0.50 36: 40 26 14 39 25 14 184374.4340 0.0040 0.030 37: 40 25 15 39 24 15 184405.1160 0.0035 0.030 38: 40 24 16 39 23 16 184430.0750 0.0045 0.030 39: 40 23 17 39 22 17 184450.7730 0.0164 0.030 40: 40 22 18 39 21 18 184468.1400 -0.0376 0.030 41: 40 21 19 39 20 19 184483.0880 0.0327 0.030 42: 40 19 21 39 18 21 184507.1690 -0.0047 0.030 43: 40 18 22 39 17 22 184517.0910 -0.0290 0.030 44: 40 17 23 39 16 23 184526.0120 0.0142 0.030 45: 40 16 24 39 15 24 184534.0460 0.0512 0.030 ! 46: 44 37 8 43 36 8 202615.1850 -0.0473 0.030 47: 44 35 10 43 34 10 202435.7440 0.0111 0.030 48: 44 34 11 43 33 11 202522.9940 0.0596 0.030 49: 44 32 12 43 31 12 202608.6340 -0.0049 0.030 50: 44 33 12 43 32 12 202611.2610 0.0495 0.030 51: 44 31 13 43 30 13 202680.2760 0.0577 0.030 52: 44 30 14 43 29 14 202733.5760 0.0346 0.030 53: 44 29 15 43 28 15 202775.3050 -0.0136 0.030 54: 44 27 17 43 26 17 202836.7120 -0.0005 0.030 55: 44 26 18 43 25 18 202859.8920 -0.0332 0.030 56: 44 25 19 43 24 19 202879.6380 -0.0121 0.030 57: 44 24 20 43 23 20 202896.6120 -0.0158 0.030 58: 44 23 21 43 22 21 202911.3940 -0.0160 0.030 59: 44 22 22 43 21 22 202924.4110 -0.0052 0.030 60: 44 21 23 43 20 23 202935.9450 -0.0259 0.030 61: 44 20 24 43 19 24 202946.3170 -0.0121 0.030 62: 44 19 25 43 18 25 202955.7140 0.0205 0.030 63: 44 17 27 43 16 27 202972.0400 -0.0219 0.030 64: 44 16 28 43 15 28 202979.3120 0.0047 0.030 65: 44 15 29 43 14 29 202986.0320 -0.0204 0.030 66: 44 14 30 43 13 30 202992.3870 0.0144 0.030 67: 44 13 31 43 12 31 202998.3400 0.0099 0.030 ! 68: 45 45 0 44 44 0 210129.9360 -0.0081 0.030 69: 45 44 1 44 43 1 209725.9950 0.0209 0.030 70: 45 37 9 44 36 9 207037.3240 -0.0175 0.030 71: 45 36 10 44 35 10 207012.4380 -0.0120 0.030 72: 45 34 11 44 33 11 207058.1200 0.0872 0.030 73: 45 35 11 44 34 11 207094.2250 0.0229 0.030 74: 45 34 12 44 33 12 207187.3840 -0.0102 0.030 75: 45 31 14 44 30 14 207319.5830 0.0092 0.030 76: 45 30 15 44 29 15 207364.6000 -0.0045 0.030 77: 45 29 16 44 28 16 207400.7840 -0.0169 0.030 78: 45 28 17 44 27 17 207430.5200 -0.0182 0.030 79: 45 27 18 44 26 18 207455.3970 -0.0053 0.030 80: 45 26 19 44 25 19 207476.5250 0.0219 0.030 81: 45 25 20 44 24 20 207494.6610 0.0172 0.030 82: 45 24 21 44 23 21 207510.4260 0.0049 0.030 83: 45 23 22 44 22 22 207524.3130 0.0250 0.030 84: 45 22 23 44 21 23 207536.5760 -0.0179 0.030 85: 45 21 24 44 20 24 207547.5930 -0.0204 0.030 86: 45 20 25 44 19 25 207557.5830 0.0186 0.030 87: 45 19 26 44 18 26 207566.5890 -0.0326 0.030 88: 45 18 27 44 17 27 207574.8740 -0.0535 0.030 89: 45 17 28 44 16 28 207582.5830 -0.0157 0.030 90: 45 15 30 44 14 30 207596.4340 0.0284 0.030 91: 45 5 40 44 4 40 207648.7250 -0.0157 0.030 92: 45 3 42 44 2 42 207657.6050 0.0047 0.030 ! 93: 48 48 0 47 47 0 224130.0620 0.0183 0.030 94: 48 47 1 47 46 1 223726.3400 -0.0063 0.030 95: 48 46 2 47 45 2 223321.1360 0.0285 0.030 96: 48 39 10 47 38 10 220762.4460 0.0072 0.030 ! 97: 49 44 5 48 43 5 226741.8970 -0.0065 0.030 98: 49 43 7 48 42 7 226309.3080 0.0479 0.030 99: 49 41 9 48 40 9 225525.8380 0.0390 0.030 100: 49 40 10 48 39 10 225355.5020 -0.0672 0.030 101: 49 39 11 48 38 11 225372.7580 0.0282 0.030 102: 49 37 12 48 36 12 225446.2500 -0.0140 0.030 103: 49 38 12 48 37 12 225471.3960 0.0007 0.030 104: 49 36 13 48 35 13 225566.5920 0.0627 0.030 105: 49 33 16 48 32 16 225755.1970 -0.0132 0.030 106: 49 32 17 48 31 17 225794.2420 0.0024 0.030 107: 49 31 18 48 30 18 225826.6420 -0.0050 0.030 108: 49 30 19 48 29 19 225853.9940 -0.0013 0.030 109: 49 29 20 48 28 20 225877.3240 -0.0692 0.030 110: 49 28 21 48 27 21 225897.6660 0.0128 0.030 111: 49 27 22 48 26 22 225915.3520 -0.0331 0.030 112: 49 26 23 48 25 23 225931.0650 0.0084 0.030 113: 49 25 24 48 24 24 225944.9670 -0.0648 0.030 114: 49 24 25 48 23 25 225957.5940 -0.0048 0.030 115: 49 23 26 48 22 26 225968.9780 -0.0101 0.030 116: 49 22 27 48 21 27 225979.3750 -0.0115 0.030 117: 49 21 28 48 20 28 225988.9290 -0.0174 0.030 118: 49 20 29 48 19 29 225997.8250 0.0312 0.030 119: 49 18 31 48 17 31 226013.6840 -0.0677 0.030 120: 49 17 32 48 16 32 226021.0160 -0.0076 0.030 121: 49 16 33 48 15 33 226027.9090 -0.0023 0.030 122: 49 15 34 48 14 34 226034.3960 -0.0722 0.030 123: 49 14 35 48 13 35 226040.7560 0.0161 0.030 124: 49 13 36 48 12 36 226046.7820 0.0162 0.030 125: 49 12 37 48 11 37 226052.6040 0.0241 0.030 126: 49 11 38 48 10 38 226058.2000 -0.0117 0.030 127: 49 9 40 48 8 40 226069.0250 -0.0041 0.030 128: 49 8 41 48 7 41 226074.3000 0.0428 0.030 129: 49 7 42 48 6 42 226079.3860 -0.0027 0.030 130: 49 6 43 48 5 43 226084.4320 -0.0075 0.030 131: 49 5 44 48 4 44 226089.4190 -0.0041 0.030 132: 49 4 45 48 3 45 226094.3540 0.0020 0.030 133: 49 2 47 48 1 47 226104.0930 0.0055 0.030 ! 134: 62 61 1 61 60 1 289000.6950 0.0003 0.030 135: 62 57 5 61 56 5 287372.5990 -0.0557 0.030 136: 62 56 6 61 55 6 286953.9530 0.0838 0.030 137: 62 57 6 61 56 6 287372.5990 -0.0598 0.030 138: 62 56 7 61 55 7 286953.9570 0.0192 0.030 139: 62 54 9 61 53 9 286080.8730 -0.0443 0.030 140: 62 47 15 61 46 15 285108.3990 0.0013 0.030 141: 62 48 15 61 47 15 285120.6980 -0.0178 0.030 142: 62 46 16 61 45 16 285231.6720 0.0453 0.030 143: 62 45 17 61 44 17 285322.3410 0.0556 0.030 144: 62 44 18 61 43 18 285394.1010 -0.0139 0.030 145: 62 43 19 61 42 19 285452.9440 -0.0177 0.030 146: 62 42 20 61 41 20 285502.2000 -0.0102 0.030 147: 62 41 21 61 40 21 285544.1360 0.0338 0.030 148: 62 40 22 61 39 22 285580.2200 0.0046 0.030 149: 62 39 23 61 38 23 285611.6850 -0.0182 0.030 150: 62 38 24 61 37 24 285639.4610 0.0280 0.030 151: 62 37 25 61 36 25 285664.0870 0.0159 0.030 152: 62 36 26 61 35 26 285686.1160 -0.0238 0.030 153: 62 35 27 61 34 27 285706.0600 0.0054 0.030 154: 62 34 28 61 33 28 285724.0880 -0.0615 0.030 155: 62 33 29 61 32 29 285740.6830 -0.0147 0.030 156: 62 32 30 61 31 30 285755.9340 0.0104 0.030 157: 62 31 31 61 30 31 285769.9850 -0.0284 0.030 158: 62 30 32 61 29 32 285783.1250 0.0015 0.030 159: 62 29 33 61 28 33 285795.4030 0.0179 0.030 160: 62 28 34 61 27 34 285806.9200 0.0099 0.030 161: 62 27 35 61 26 35 285817.7950 0.0013 0.030 162: 62 26 36 61 25 36 285828.1150 -0.0025 0.030 163: 62 25 37 61 24 37 285837.9530 0.0004 0.030 164: 62 24 38 61 23 38 285847.3300 -0.0295 0.030 165: 62 23 39 61 22 39 285856.4500 0.0581 0.030 166: 62 22 40 61 21 40 285865.1070 0.0110 0.030 167: 62 21 41 61 20 41 285873.5270 0.0143 0.030 168: 62 20 42 61 19 42 285881.6510 -0.0269 0.030 169: 62 19 43 61 18 43 285889.6510 0.0276 0.030 170: 62 18 44 61 17 44 285897.4000 0.0227 0.030 171: 62 17 45 61 16 45 285904.9870 0.0226 0.030 172: 62 16 46 61 15 46 285912.4090 0.0017 0.030 173: 62 15 47 61 14 47 285919.7510 0.0254 0.030 174: 62 14 48 61 13 48 285927.0150 0.0776 0.030 175: 62 13 49 61 12 49 285934.0470 -0.0115 0.030 176: 62 12 50 61 11 50 285941.0880 -0.0156 0.030 177: 62 11 51 61 10 51 285948.1000 0.0143 0.030 178: 62 10 52 61 9 52 285954.9810 -0.0353 0.030 179: 62 9 53 61 8 53 285961.8440 -0.0624 0.030 180: 62 8 54 61 7 54 285968.7250 -0.0407 0.030 181: 62 7 55 61 6 55 285975.5750 -0.0278 0.030 182: 62 6 56 61 5 56 285982.4500 0.0239 0.030 183: 62 5 57 61 4 57 285989.3000 0.0573 0.030 ! 184: 65 65 0 64 64 0 303375.5730 0.0146 0.030 185: 65 62 3 64 61 3 302166.0430 0.0844 0.030 ! 186: 66 66 0 65 65 0 308031.7640 -0.0015 0.030 187: 66 63 3 65 62 3 306822.5680 0.0225 0.030 188: 66 60 6 65 59 6 305590.1720 -0.0002 0.030 -0.0058 0.50 189: 66 60 7 65 59 7 305590.1720 -0.0113 0.030 -0.0058 0.50 190: 66 58 9 65 57 9 304729.9160 -0.0405 0.030 191: 66 58 8 65 57 8 304728.0770 0.0103 0.030 192: 66 38 28 65 37 28 304074.2300 -0.0058 0.030 193: 66 54 12 65 53 12 302265.2130 0.0072 0.030 ! 194: 67 55 13 66 54 13 307807.1950 -0.0386 0.030 195: 67 54 14 66 53 14 307770.6060 0.0375 0.030 196: 67 53 15 66 52 15 307878.7330 -0.0076 0.030 197: 67 54 13 66 53 13 306833.6920 0.0577 0.030 ! 198: 66 19 47 65 18 47 304301.5820 0.0315 0.030 199: 66 18 48 65 17 48 304309.6890 0.0423 0.030 200: 66 17 49 65 16 49 304317.6200 -0.0004 0.030 201: 66 15 51 65 14 51 304333.2950 0.0261 0.030 202: 66 11 55 65 10 55 304363.7550 -0.0059 0.030 203: 66 9 57 65 8 57 304378.7920 0.0065 0.030 ! 204: 71 71 0 70 70 0 331302.8360 -0.0252 0.030 205: 71 70 1 70 69 1 330901.2760 0.0043 0.030 206: 71 69 2 70 68 2 330499.0000 0.0070 0.030 207: 71 68 3 70 67 3 330095.4940 -0.0043 0.030 208: 71 67 4 70 66 4 329690.0990 0.0189 0.030 209: 71 66 5 70 65 5 329281.7650 0.0009 0.030 ! 210: 72 59 14 71 58 14 330652.4380 -0.0011 0.030 211: 72 58 15 71 57 15 330629.7600 -0.0360 0.030 212: 72 55 17 71 54 17 330884.9600 -0.0460 0.030 213: 72 52 21 71 51 21 331283.1070 0.0102 0.030 214: 72 51 22 71 50 22 331342.1130 -0.0755 0.030 215: 72 50 23 71 49 23 331392.9820 0.0060 0.030 216: 72 49 24 71 48 24 331437.1940 0.0222 0.030 217: 72 46 26 71 45 26 331510.5110 -0.0239 0.030 218: 72 45 27 71 44 27 331541.3500 -0.0522 0.030 219: 72 44 28 71 43 28 331569.1490 -0.0778 0.030 220: 72 42 30 71 41 30 331617.5820 0.0438 0.030 221: 72 41 31 71 40 31 331638.6420 -0.0776 0.030 222: 72 40 32 71 39 32 331658.2210 -0.0615 0.030 223: 72 39 33 71 38 33 331676.4020 -0.0421 0.030 224: 72 38 34 71 37 34 331693.3870 -0.0007 0.030 225: 72 36 36 71 35 36 331724.2460 0.0264 0.030 226: 72 34 38 71 33 38 331751.8110 0.0383 0.030 227: 72 33 39 71 32 39 331764.5280 -0.0306 0.030 228: 72 32 40 71 31 40 331776.7550 -0.0322 0.030 229: 72 31 41 71 30 41 331788.5040 -0.0195 0.030 ! 230: 75 75 0 74 74 0 349907.2010 -0.0281 0.030 231: 75 74 1 74 73 1 349506.0650 0.0308 0.030 232: 75 72 3 74 71 3 348701.2740 -0.0475 0.030 ! 233: 76 68 8 75 67 8 351291.8040 0.0159 0.030 234: 76 71 5 75 70 5 352539.7780 -0.0071 0.030 235: 76 72 4 75 71 4 352946.5500 -0.0256 0.030 236: 76 73 3 75 72 3 353350.9550 -0.0023 0.030 237: 76 75 1 75 74 1 354155.4280 0.0193 0.030 238: 76 65 12 75 64 12 349944.0710 0.0774 0.030 239: 76 44 32 75 43 32 349981.5470 0.0588 0.030 240: 76 42 34 75 41 34 350022.1180 0.0072 0.030 241: 76 36 40 75 35 40 350117.6620 0.0308 0.030 242: 76 30 46 75 29 46 350190.7380 0.0428 0.030 243: 76 24 52 75 23 52 350252.9550 -0.0062 0.030 244: 76 15 61 75 14 61 350338.0950 -0.0548 0.030 245: 76 52 24 75 51 24 349721.4600 0.0380 0.030 246: 76 53 23 75 52 23 349668.5830 -0.0351 0.030 247: 76 59 18 75 58 18 349217.6770 -0.0066 0.030 248: 76 63 14 75 62 14 349089.1930 -0.0060 0.030 ! 249: 77 62 15 76 61 15 352463.8980 0.0656 0.030 250: 77 61 16 76 60 16 353077.0320 -0.0454 0.030 251: 77 62 16 76 61 16 353471.1560 0.0003 0.030 252: 77 60 17 76 59 17 353517.5980 -0.0225 0.030 253: 77 61 17 76 60 17 353602.3680 0.0322 0.030 254: 77 52 25 76 51 25 354337.2860 0.0012 0.030 255: 77 46 31 76 45 31 354536.1640 0.0310 0.030 256: 77 40 37 76 39 37 354655.2970 -0.0016 0.030 257: 77 34 43 76 33 43 354740.1820 0.0245 0.030 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated): 10000 A /MHz 2338.69272(24) 1 20000 B /MHz 2279.34613(22) 2 30000 C /MHz 1648.7513(80) 3 200 DJ /kHz 0.403021(38) 4 1100 DJK /kHz -0.360331(95) 5 2000 DK /kHz [ 0.09] 6 40100 d1 /kHz 0.0039214(89) 7 50000 d2 /kHz -0.0014987(95) 8 300 HJ /Hz 0.0001244(34) 9 1200 HJK /Hz -0.000353(10) 10 2100 HKJ /Hz 0.000408(23) 11 60000 h3 /Hz -0.00001516(68) 12 MICROWAVE AVG = 0.000600 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.033738 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 1.05098 1.05098 distinct frequency lines in fit: 253 distinct parameters of fit: 11 upper state lower state overall limits of quantum number 1: 7 77 6 76 6 77 limits of quantum number 2: 2 75 1 74 1 75 limits of quantum number 3: 0 61 0 61 0 61 frequency range: 32175 354740 Standard errors are obtained by muliplying the previous errors by: 1.074600 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded) 10000 A /MHz 2338.69273(26) 1 20000 B /MHz 2279.34613(24) 2 30000 C /MHz 1648.7513(85) 3 200 DJ /kHz 0.403021(40) 4 1100 DJK /kHz -0.36033(10) 5 2000 DK /kHz [ 0.09] 6 40100 d1 /kHz 0.0039214(95) 7 50000 d2 /kHz -0.001499(10) 8 300 HJ /Hz 0.0001244(36) 9 1200 HJK /Hz -0.000353(11) 10 2100 HKJ /Hz 0.000408(24) 11 60000 h3 /Hz -0.00001516(73) 12 CORRELATION COEFFICIENTS, C.ij: A B C -DJ -DJK d1 d2 HJ A 1.0000 B -0.4359 1.0000 C -0.5099 0.6835 1.0000 -DJ -0.5425 -0.4373 -0.0602 1.0000 -DJK 0.0533 -0.0831 -0.0533 -0.2519 1.0000 d1 0.7293 -0.6092 -0.1689 -0.1146 0.0639 1.0000 d2 -0.3481 0.4974 0.8995 -0.0481 -0.0119 0.0262 1.0000 HJ 0.5099 0.3717 -0.0114 -0.9734 0.3523 0.0960 -0.0437 1.0000 HJK -0.1064 0.1678 0.2356 0.1623 -0.7214 -0.0858 0.2680 -0.3211 HKJ 0.0913 -0.0606 -0.1987 0.0448 -0.4001 0.0256 -0.2831 0.0130 h3 -0.2434 0.3198 0.5481 -0.0024 -0.0320 -0.0682 0.5243 -0.0651 HJK HKJ h3 HJK 1.0000 HKJ -0.3089 1.0000 h3 0.2122 -0.1982 1.0000 Mean value of |C.ij|, i.ne.j = 0.2672 Mean value of C.ij, i.ne.j = -0.0164 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 72: 2.9 185: 2.8 136: 2.8 219: -2.6 221: -2.6 174: 2.6 238: 2.6 214: -2.5 122: -2.4 109: -2.3 119: -2.3 100: -2.2 249: 2.2 113: -2.2 33: -2.2 104: 2.1 179: -2.1 154: -2.1 222: -2.1 137: -2.0 48: 2.0 239: 2.0 165: 1.9 51: 1.9 197: 1.9 183: 1.9 135: -1.9 143: 1.9 244: -1.8 88: -1.8 218: -1.7 28: -1.7 45: 1.7 50: 1.7 98: 1.6 232: -1.6 46: -1.6 15: 1.6 212: -1.5 16: -1.5 18: 1.5 250: -1.5 142: 1.5 139: -1.5 220: 1.5 242: 1.4 128: 1.4 199: 1.4 223: -1.4 180: -1.4 72: 45 34 11 44 33 11 207058.1200 0.0872 0.030 185: 65 62 3 64 61 3 302166.0430 0.0844 0.030 136: 62 56 6 61 55 6 286953.9530 0.0838 0.030 219: 72 44 28 71 43 28 331569.1490 -0.0778 0.030 221: 72 41 31 71 40 31 331638.6420 -0.0776 0.030 174: 62 14 48 61 13 48 285927.0150 0.0776 0.030 238: 76 65 12 75 64 12 349944.0710 0.0774 0.030 214: 72 51 22 71 50 22 331342.1130 -0.0755 0.030 122: 49 15 34 48 14 34 226034.3960 -0.0722 0.030 109: 49 29 20 48 28 20 225877.3240 -0.0692 0.030 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM