1,2-dichlorobenzene, d3 Tue Mar 24 11:27:28 2020 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! 1: 4 2 3 3 5 3 2 2 1 4 8662.8102 0.0014 0.002 2: 4 2 3 3 6 3 2 2 3 5 8665.4879 0.0027 0.002 3: 4 2 3 3 6 3 2 2 3 6 8665.5368 0.0011 0.002 4: 4 2 3 2 3 3 2 2 2 2 8667.7055 0.0009 0.002 5: 4 2 3 2 5 3 2 2 2 4 8667.7188 0.0009 0.002 6: 4 2 3 2 3 3 2 2 2 3 8667.7419 -0.0002 0.002 7: 4 2 3 2 6 3 2 2 2 5 8667.8087 0.0017 0.002 8: 4 2 3 1 5 3 2 2 3 4 8668.2293 0.0022 0.002 9: 4 2 3 3 7 3 2 2 3 6 8670.7706 0.0016 0.002 ! 10: 5 1 5 1 4 4 1 4 1 3 8923.7851 -0.0006 0.002 11: 5 1 5 3 6 4 1 4 3 5 8923.9405 0.0003 0.002 12: 5 1 5 0 5 4 1 4 0 4 8923.9551 -0.0043 0.002 13: 5 1 5 1 6 4 1 4 1 5 8924.3409 -0.0022 0.002 14: 5 1 5 3 2 4 1 4 3 1 8924.4237 -0.0026 0.002 15: 5 0 5 3 6 4 0 4 3 6 8924.4459 -0.0018 0.002 16: 5 1 5 2 3 4 1 4 2 2 8924.5518 0.0019 0.002 17: 5 1 5 2 6 4 1 4 2 5 8924.6182 -0.0010 0.002 18: 5 1 5 2 7 4 1 4 2 6 8924.6287 0.0000 0.002 19: 5 1 5 1 5 4 1 4 1 4 8925.2505 -0.0020 0.002 20: 5 1 5 2 5 4 1 4 2 4 8925.2843 -0.0005 0.002 21: 5 1 5 3 7 4 1 4 3 6 8925.3014 0.0022 0.002 22: 5 1 5 3 8 4 1 4 3 7 8925.6957 -0.0010 0.002 23: 5 0 5 1 4 4 0 4 1 3 8932.2615 -0.0013 0.002 24: 5 0 5 0 5 4 0 4 0 4 8932.4557 0.0010 0.002 25: 5 0 5 1 6 4 0 4 1 5 8932.7667 -0.0011 0.002 26: 5 0 5 2 6 4 0 4 2 5 8933.0511 -0.0038 0.002 27: 5 0 5 2 4 4 0 4 2 3 8933.0619 -0.0005 0.002 28: 5 0 5 1 5 4 0 4 1 4 8933.6267 -0.0014 0.002 29: 5 0 5 2 5 4 2 2 0 4 8933.6697 -0.0008 0.002 labels 30: 5 0 5 3 7 4 0 4 3 6 8933.7637 -0.0003 0.002 31: 5 0 5 3 8 4 0 4 3 7 8934.0867 -0.0007 0.002 ! 32: 4 1 3 3 4 3 1 2 3 3 9135.6853 0.0030 0.002 33: 4 1 3 3 5 3 1 2 3 4 9136.0758 0.0038 0.002 34: 4 1 3 2 4 3 1 2 2 3 9136.3604 0.0002 0.002 35: 4 1 3 1 3 3 1 2 1 2 9136.6448 -0.0024 0.002 36: 4 1 3 1 5 3 1 2 1 4 9137.1515 -0.0018 0.002 37: 4 1 3 2 6 3 1 2 2 5 9137.2624 0.0004 0.002 ! 38: 4 3 2 1 5 3 3 1 1 4 9376.8468 -0.0007 0.002 39: 4 3 2 3 7 3 3 1 3 6 9380.9892 -0.0031 0.002 ! 40: 4 3 1 3 5 3 3 0 3 4 9967.2415 -0.0038 0.002 41: 4 3 1 3 6 3 3 0 3 5 9971.8073 -0.0021 0.002 42: 4 3 1 3 3 3 3 0 3 2 9984.7699 0.0012 0.002 ! 43: 4 2 2 3 5 3 2 1 3 4 10239.1064 -0.0002 0.002 44: 4 2 2 3 5 3 2 1 3 5 10239.3371 -0.0002 0.002 45: 4 2 2 3 4 3 2 1 3 3 10241.0974 0.0012 0.002 46: 4 2 2 1 5 3 2 1 2 4 10243.4804 0.0025 0.002 47: 4 2 2 3 2 3 2 1 2 1 10245.0566 -0.0028 0.002 48: 4 2 2 3 7 3 2 1 3 6 10245.2488 0.0021 0.002 ! 49: 5 2 4 3 6 4 2 3 3 5 10461.9315 0.0002 0.002 50: 5 2 4 0 5 4 2 3 0 4 10462.2784 -0.0022 0.002 51: 5 2 4 3 5 4 2 3 3 4 10462.2912 0.0015 0.002 52: 5 2 4 3 7 4 2 3 3 6 10463.7841 -0.0009 0.002 53: 5 2 4 3 8 4 2 3 3 7 10466.2634 -0.0003 0.002 54: 5 2 4 1 5 4 2 3 1 4 10466.5750 -0.0002 0.002 55: 5 4 2 0 5 4 4 1 0 4 10466.5871 -0.0034 0.002 labels ! 56: 6 1 6 3 4 5 1 5 3 3 10549.2314 -0.0016 0.002 57: 6 1 6 3 6 5 1 5 3 5 10549.3571 -0.0005 0.002 58: 6 1 6 3 5 5 1 5 3 4 10549.7600 -0.0010 0.002 59: 6 1 6 0 6 5 1 5 0 5 10550.0348 -0.0002 0.002 60: 6 1 6 3 7 5 1 5 3 6 10550.1248 0.0004 0.002 61: 6 1 6 1 7 5 1 5 1 6 10550.3224 -0.0002 0.002 62: 6 1 6 3 3 5 1 5 3 2 10550.3699 -0.0020 0.002 63: 6 1 6 2 8 5 1 5 2 7 10550.5118 0.0012 0.002 64: 6 0 6 3 4 5 0 5 3 3 10550.9133 0.0002 0.002 65: 6 1 6 1 6 5 1 5 1 5 10550.9627 0.0009 0.002 66: 6 1 6 2 6 5 1 5 2 5 10550.9758 -0.0032 0.002 67: 6 0 6 3 6 5 0 5 3 5 10551.0501 -0.0007 0.002 68: 6 1 6 3 8 5 1 5 3 7 10551.0920 -0.0001 0.002 69: 6 1 6 3 9 5 1 5 3 8 10551.3166 0.0015 0.002 70: 6 0 6 3 5 5 0 5 3 4 10551.4429 0.0021 0.002 71: 6 0 6 0 6 5 0 5 0 5 10551.7316 -0.0008 0.002 72: 6 0 6 3 7 5 0 5 3 6 10551.8253 0.0000 0.002 73: 6 0 6 1 7 5 0 5 1 6 10552.0065 -0.0007 0.002 74: 6 0 6 3 3 5 0 5 3 2 10552.0532 -0.0001 0.002 75: 6 0 6 2 7 5 0 5 2 7 10552.1920 -0.0033 0.002 76: 6 0 6 1 6 5 0 5 1 5 10552.6418 0.0014 0.002 77: 6 0 6 2 6 5 0 5 2 5 10552.6565 -0.0030 0.002 78: 6 0 6 3 8 5 0 5 3 7 10552.7799 -0.0010 0.002 79: 6 0 6 3 9 5 0 5 3 8 10552.9942 0.0005 0.002 ! 80: 5 1 4 3 5 4 1 3 3 4 10676.7266 0.0003 0.002 81: 5 1 4 3 6 4 1 3 3 5 10676.9656 0.0004 0.002 82: 5 1 4 0 5 4 1 3 2 4 10677.1114 -0.0027 0.002 83: 5 1 4 1 4 4 1 3 1 3 10677.2258 0.0031 0.002 84: 5 1 4 3 4 4 1 3 3 3 10677.5600 -0.0004 0.002 85: 5 1 4 3 3 4 1 3 3 2 10677.7689 0.0017 0.002 86: 5 1 4 1 6 4 1 3 1 5 10677.9937 0.0031 0.002 87: 5 1 4 2 7 4 1 3 2 6 10678.1088 0.0001 0.002 88: 5 1 4 2 4 4 1 3 2 3 10678.2671 0.0001 0.002 89: 5 1 4 3 2 4 1 3 3 2 10682.2345 0.0008 0.002 ! 90: 5 3 3 3 6 4 3 2 3 5 11546.1689 0.0012 0.002 91: 5 3 3 3 7 4 3 2 3 6 11548.9448 -0.0002 0.002 92: 5 3 3 2 7 4 3 2 3 6 11549.4702 -0.0024 0.002 93: 5 3 3 2 5 4 3 2 1 5 11551.2825 -0.0004 0.002 94: 5 3 3 2 3 4 3 2 2 2 11551.3702 0.0023 0.002 95: 5 3 3 2 7 4 3 2 2 6 11551.6175 0.0019 0.002 96: 5 3 3 1 6 4 3 2 1 5 11552.0355 -0.0001 0.002 97: 5 3 3 3 4 4 3 2 3 3 11552.9894 -0.0018 0.002 98: 5 3 3 3 8 4 3 2 3 7 11554.6768 -0.0022 0.002 ! 99: 6 2 5 3 6 5 2 4 3 5 12153.1002 -0.0003 0.002 100: 6 2 5 3 7 5 2 4 3 6 12153.1216 -0.0013 0.002 101: 6 2 5 0 6 5 2 4 0 5 12153.2685 -0.0008 0.002 102: 6 2 5 1 5 5 2 4 1 4 12153.4026 -0.0002 0.002 103: 6 2 5 3 5 5 2 4 3 4 12154.4055 -0.0011 0.002 104: 6 2 5 3 8 5 2 4 3 7 12154.4789 -0.0007 0.002 105: 6 2 5 1 7 5 2 4 1 6 12154.6074 -0.0012 0.002 106: 6 2 5 2 8 5 2 4 2 7 12154.6392 -0.0011 0.002 ! 107: 7 1 7 3 5 6 1 6 3 4 12173.0667 -0.0029 0.002 108: 7 1 7 3 7 6 1 6 3 6 12173.2086 -0.0003 0.002 109: 7 1 7 1 6 6 1 6 1 5 12173.3783 0.0028 0.002 110: 7 0 7 3 7 6 0 6 3 6 12173.5233 -0.0010 0.002 111: 7 1 7 3 6 6 1 6 3 5 12173.5658 -0.0012 0.002 112: 7 1 7 0 7 6 1 6 0 6 12173.6536 0.0015 0.002 113: 7 0 7 1 6 6 0 6 1 5 12173.6929 0.0021 0.002 114: 7 1 7 3 8 6 1 6 3 7 12173.7746 0.0001 0.002 115: 7 1 7 1 8 6 1 6 1 7 12173.8807 -0.0012 0.002 116: 7 1 7 3 4 6 1 6 3 3 12173.9162 -0.0012 0.002 117: 7 0 7 0 7 6 0 6 0 6 12173.9692 0.0010 0.002 118: 7 0 7 3 8 6 0 6 3 7 12174.0902 -0.0010 0.002 119: 7 0 7 1 8 6 0 6 1 7 12174.1966 0.0007 0.002 120: 7 0 7 3 4 6 0 6 3 3 12174.2298 -0.0015 0.002 121: 7 0 7 2 9 6 0 6 2 8 12174.3270 -0.0004 0.002 122: 7 1 7 1 7 6 1 6 1 6 12174.3608 0.0025 0.002 123: 7 1 7 3 9 6 1 6 3 8 12174.5028 0.0003 0.002 124: 7 1 7 3 10 6 1 6 3 9 12174.6463 0.0028 0.002 125: 7 0 7 1 7 6 0 6 1 6 12174.6734 0.0019 0.002 126: 7 0 7 3 9 6 0 6 3 8 12174.8167 -0.0001 0.002 127: 7 0 7 3 10 6 0 6 3 9 12174.9585 0.0021 0.002 128: 5 4 1 3 6 4 4 0 3 5 12176.5984 0.0004 0.002 ! 129: 6 1 5 3 6 5 1 4 3 5 12219.8648 0.0014 0.002 130: 6 1 5 3 7 5 1 4 3 6 12220.0059 0.0027 0.002 131: 6 1 5 0 6 5 1 4 0 5 12220.1019 0.0035 0.002 132: 6 1 5 1 5 5 1 4 1 4 12220.1544 0.0041 0.002 133: 6 1 5 3 5 5 1 4 3 4 12220.8556 0.0038 0.002 134: 6 1 5 3 4 5 1 4 3 3 12220.9562 0.0031 0.002 135: 6 1 5 1 7 5 1 4 1 6 12221.0950 0.0028 0.002 136: 6 1 5 2 8 5 1 4 2 7 12221.1698 0.0016 0.002 137: 6 1 5 2 5 5 1 4 2 4 12221.2220 -0.0029 0.002 138: 6 1 5 3 3 5 1 4 3 2 12222.1560 -0.0006 0.002 139: 6 1 5 1 6 5 1 4 1 5 12222.2140 0.0016 0.002 140: 6 1 5 3 9 5 1 4 3 8 12222.2590 0.0016 0.002 ! 141: 5 2 3 3 6 4 2 2 3 5 12421.6925 0.0020 0.002 142: 5 2 3 3 5 4 2 2 3 4 12421.8584 0.0006 0.002 143: 5 2 3 2 5 4 0 4 2 4 12421.9425 0.0018 0.002 labels 144: 5 2 3 3 7 4 2 2 3 6 12422.8662 -0.0008 0.002 145: 5 2 3 2 7 4 2 2 2 6 12422.9430 -0.0012 0.002 146: 5 2 3 3 8 4 2 2 3 7 12424.0898 -0.0025 0.002 147: 5 2 3 1 5 4 2 2 1 4 12424.3556 -0.0047 0.002 148: 5 2 3 3 2 4 2 2 3 1 12424.4549 -0.0028 0.002 ! 149: 5 3 2 3 6 4 3 1 3 6 12847.9240 -0.0014 0.002 150: 5 3 2 3 6 4 3 1 1 5 12850.3579 0.0028 0.002 151: 5 3 2 2 4 4 3 1 3 3 12850.5405 0.0015 0.002 152: 5 3 2 2 6 4 3 1 2 5 12850.9518 0.0020 0.002 153: 5 3 2 3 8 4 3 1 3 7 12853.3541 -0.0031 0.002 ! 154: 6 3 4 2 6 5 3 3 2 5 13531.1282 0.0020 0.002 155: 6 3 4 3 6 5 3 3 3 5 13531.4159 0.0009 0.002 156: 6 3 4 1 5 5 3 3 1 4 13531.6779 0.0014 0.002 157: 6 3 4 3 8 5 3 3 3 7 13532.6804 0.0021 0.002 158: 6 3 4 2 7 5 3 3 2 6 13533.5227 -0.0005 0.002 159: 6 3 4 2 4 5 3 3 2 3 13533.6153 0.0008 0.002 160: 6 3 4 1 7 5 3 3 1 6 13533.7313 0.0021 0.002 161: 6 3 4 3 5 5 3 3 3 4 13533.8551 0.0013 0.002 ! 162: 7 2 6 3 7 6 2 5 3 6 13795.7355 -0.0010 0.002 163: 7 2 6 3 8 6 2 5 3 7 13795.8507 -0.0013 0.002 164: 7 2 6 1 6 6 2 5 1 5 13795.9147 0.0004 0.002 ! 165: 8 1 8 3 6 7 1 7 3 5 13796.3600 -0.0007 0.002 166: 8 0 8 3 6 7 0 7 3 5 13796.4164 0.0000 0.002 167: 8 1 8 3 8 7 1 7 3 7 13796.4967 0.0000 0.002 168: 8 1 8 1 7 7 1 7 1 6 13796.5528 0.0022 0.002 169: 8 0 8 1 7 7 0 7 1 6 13796.6090 0.0024 0.002 170: 8 1 8 3 7 7 1 7 3 6 13796.8039 0.0018 0.002 171: 8 0 8 0 8 7 0 7 0 7 13796.8620 0.0036 0.002 172: 8 1 8 3 9 7 1 7 3 8 13796.9304 0.0007 0.002 173: 8 0 8 1 9 7 0 7 1 8 13797.0495 0.0027 0.002 174: 8 1 8 2 10 7 1 7 2 9 13797.0876 0.0017 0.002 175: 8 1 8 3 10 7 1 7 3 9 13797.5028 0.0033 0.002 176: 8 0 8 3 10 7 0 7 3 9 13797.5583 0.0030 0.002 177: 8 1 8 3 11 7 1 7 3 10 13797.5967 0.0028 0.002 178: 8 0 8 3 11 7 0 7 3 10 13797.6529 0.0033 0.002 ! 179: 7 1 6 3 7 6 1 5 3 6 13812.5910 -0.0005 0.002 180: 7 1 6 3 8 6 1 5 3 7 13812.7032 -0.0011 0.002 181: 7 1 6 2 7 6 1 5 0 6 13812.7557 -0.0039 0.002 182: 7 1 6 3 6 6 1 5 3 5 13813.4917 -0.0004 0.002 183: 7 1 6 1 8 6 1 5 1 7 13813.6609 -0.0013 0.002 184: 7 1 6 2 9 6 1 5 2 8 13813.6964 -0.0008 0.002 185: 7 1 6 2 8 6 1 5 2 7 13813.7364 0.0021 0.002 186: 7 1 6 3 4 6 1 5 3 3 13814.5078 -0.0029 0.002 187: 7 1 6 0 7 6 3 3 0 6 13814.6507 -0.0015 0.002 labels 188: 7 1 6 3 10 6 1 5 3 9 13814.6869 0.0000 0.002 ! 189: 6 2 4 3 6 5 2 3 3 5 14130.6553 -0.0014 0.002 190: 6 2 4 3 7 5 2 3 3 6 14130.7276 -0.0019 0.002 191: 6 2 4 2 6 5 2 3 2 5 14130.8340 0.0013 0.002 192: 6 2 4 1 5 5 2 3 1 4 14130.8626 -0.0007 0.002 193: 6 2 4 3 5 5 2 3 3 4 14131.0733 -0.0014 0.002 194: 6 2 4 2 8 5 2 3 2 7 14131.2916 -0.0023 0.002 195: 6 2 4 3 8 5 2 3 3 7 14131.5638 -0.0001 0.002 196: 6 2 4 2 5 5 2 3 2 4 14131.6955 -0.0001 0.002 197: 6 2 4 0 6 5 4 1 2 5 14131.9977 0.0013 0.002 labels 198: 6 2 4 3 9 5 2 3 3 8 14132.0784 0.0000 0.002 ! 199: 6 4 3 3 7 5 4 2 3 6 14254.5378 -0.0008 0.002 200: 6 4 3 3 6 5 4 2 3 5 14256.3820 -0.0017 0.002 201: 6 4 3 1 5 5 4 2 1 4 14256.6145 0.0034 0.002 202: 6 4 3 3 8 5 4 2 3 7 14257.7319 0.0038 0.002 203: 6 4 3 3 4 5 4 2 3 3 14263.0767 0.0016 0.002 204: 6 4 3 3 9 5 4 2 3 8 14263.2811 -0.0020 0.002 ! 205: 7 3 5 3 8 6 3 4 3 7 15338.6726 0.0023 0.002 206: 7 3 5 2 7 6 3 4 2 6 15338.8715 -0.0025 0.002 207: 7 3 5 1 6 6 3 4 1 5 15339.1171 0.0009 0.002 208: 7 3 5 3 9 6 3 4 3 8 15340.0456 0.0014 0.002 209: 7 3 5 2 9 6 3 4 2 8 15340.4186 0.0021 0.002 210: 7 3 5 2 8 6 3 4 2 7 15340.4340 0.0014 0.002 211: 7 3 5 1 8 6 3 4 1 7 15340.4643 -0.0011 0.002 212: 7 3 5 3 10 6 3 4 3 9 15341.7894 0.0005 0.002 213: 7 3 5 1 7 6 3 4 1 6 15341.9842 0.0012 0.002 214: 7 3 5 0 7 6 3 4 0 6 15342.0040 -0.0014 0.002 215: 7 3 5 3 4 6 3 4 3 3 15342.2236 0.0012 0.002 ! 216: 9 0 9 3 7 8 0 8 3 6 15419.5451 -0.0030 0.002 217: 9 0 9 1 8 8 0 8 1 7 15419.6721 -0.0014 0.002 218: 9 0 9 0 9 8 0 8 0 8 15419.8908 -0.0035 0.002 219: 9 0 9 3 8 8 0 8 3 7 15419.9293 -0.0029 0.002 220: 9 0 9 3 10 8 0 8 3 9 15420.0145 -0.0020 0.002 221: 9 1 9 1 10 8 1 8 1 9 15420.0411 -0.0015 0.002 222: 9 1 9 1 9 8 1 8 1 8 15420.3363 0.0005 0.002 223: 9 1 9 3 11 8 1 8 3 10 15420.4680 0.0022 0.002 224: 9 0 9 3 11 8 0 8 3 10 15420.4739 -0.0013 0.002 225: 9 0 9 3 12 8 0 8 3 11 15420.5396 -0.0016 0.002 ! 226: 8 2 7 3 8 7 2 6 3 7 15422.7348 -0.0004 0.002 227: 8 2 7 1 7 7 2 6 1 6 15422.8322 0.0001 0.002 228: 8 2 7 3 6 7 2 6 3 5 15423.4468 -0.0008 0.002 229: 8 2 7 3 7 7 2 6 3 6 15423.5176 -0.0004 0.002 230: 8 2 7 1 9 7 2 6 1 8 15423.6215 -0.0004 0.002 231: 8 2 7 3 10 7 2 6 3 9 15423.7398 -0.0005 0.002 ! 232: 8 1 7 3 8 7 1 6 3 7 15426.5167 -0.0003 0.002 233: 8 1 7 1 7 7 1 6 1 6 15426.6110 -0.0005 0.002 234: 8 1 7 3 9 7 1 6 3 8 15426.6642 0.0000 0.002 235: 8 1 7 3 6 7 1 6 3 5 15427.2102 -0.0003 0.002 236: 8 1 7 3 7 7 1 6 3 6 15427.2852 -0.0012 0.002 237: 6 1 5 2 6 5 1 4 2 5 15427.3261 -0.0010 0.002 238: 8 1 7 1 9 7 1 6 1 8 15427.3881 0.0001 0.002 239: 8 1 7 3 10 7 1 6 3 9 15427.5134 0.0010 0.002 ! 240: 6 3 3 3 6 5 3 2 3 6 15427.6351 0.0000 0.002 241: 6 3 3 2 7 5 3 2 3 6 15428.7345 -0.0004 0.002 242: 6 3 3 2 8 5 3 2 2 7 15428.8291 -0.0041 0.002 243: 6 3 3 2 5 5 3 2 2 4 15428.9918 -0.0028 0.002 244: 6 3 3 3 9 5 3 2 3 8 15430.3388 0.0011 0.002 245: 6 3 3 2 6 5 3 2 2 5 15430.6262 -0.0004 0.002 246: 6 3 3 1 6 5 3 2 1 5 15430.6533 0.0028 0.002 ! 247: 7 2 5 3 8 6 2 4 3 7 15607.0072 -0.0028 0.002 248: 7 0 7 2 7 6 2 4 2 6 15607.0967 -0.0005 0.002 labels 249: 7 2 5 1 6 6 2 4 1 5 15607.1412 -0.0011 0.002 250: 7 2 5 3 6 6 2 4 3 5 15607.6303 0.0039 0.002 251: 7 2 5 1 8 6 2 4 1 7 15607.7565 0.0004 0.002 252: 7 2 5 2 9 6 2 4 2 8 15607.7857 -0.0029 0.002 253: 7 2 5 3 9 6 2 4 3 8 15607.8884 0.0005 0.002 254: 7 2 5 2 8 6 2 4 2 7 15607.9972 0.0008 0.002 255: 7 2 5 2 6 6 2 4 2 5 15608.0603 -0.0033 0.002 ! 256: 8 2 6 3 9 7 2 5 3 8 17120.7774 0.0013 0.002 257: 8 2 6 3 8 7 2 5 3 7 17120.7952 -0.0034 0.002 258: 8 2 6 2 8 7 0 7 2 7 17120.8512 0.0001 0.002 labels 259: 8 2 6 1 7 7 2 5 1 6 17120.9079 0.0020 0.002 260: 8 2 6 3 7 7 2 5 3 6 17121.6119 -0.0011 0.002 261: 8 2 6 3 10 7 2 5 3 9 17121.6880 0.0023 0.002 262: 8 2 6 2 10 7 2 5 2 9 17121.7111 -0.0033 0.002 263: 8 2 6 3 6 7 2 5 3 5 17121.7830 -0.0022 0.002 264: 8 2 6 2 9 7 2 5 2 8 17121.8142 0.0025 0.002 265: 8 2 6 2 7 7 2 5 2 6 17121.8440 0.0034 0.002 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 1886.45757(27) 1 20000 B /MHz 1424.64340(11) 2 30000 C /MHz 811.559665(54) 3 200 DJ /kHz 0.04255(67) 4 1100 DJK /kHz [-0.02869] 5 2000 DK /kHz [ 0.4135] 6 40100 dJ /kHz 0.01520(48) 7 41000 dK /kHz [ 0.01696] 8 110010000 chi.aa*3/2 /MHz -67.037(10) 9 110040000 chi(b-c)/4 /MHz -5.2156(21) 10 110610000 chi.ab /MHz [-49.77] 11 220010000 chi.aa*3/2 /MHz -56.133(12) 12 220040000 chi(b-c)/4 /MHz -7.0350(22) 13 220610000 chi.ab /MHz [53.26] 14 MICROWAVE AVG = -0.000006 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.001900 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.94977 0.94977 distinct frequency lines in fit: 265 distinct parameters of fit: 9 upper state lower state overall limits of quantum number 1: 4 9 3 8 3 9 limits of quantum number 2: 0 4 0 4 0 4 limits of quantum number 3: 1 9 0 8 0 9 limits of quantum number 4: 0 3 0 3 0 3 limits of quantum number 5: 2 12 1 11 1 12 frequency range: 8662 17121 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 1886.45758(26) 1 20000 B /MHz 1424.64341(10) 2 30000 C /MHz 811.559665(52) 3 200 DJ /kHz 0.04255(65) 4 1100 DJK /kHz [-0.02869] 5 2000 DK /kHz [ 0.4135] 6 40100 dJ /kHz 0.01520(46) 7 41000 dK /kHz [ 0.01696] 8 110010000 chi.aa*3/2 /MHz -67.0378(99) 9 110040000 chi(b-c)/4 /MHz -5.2157(20) 10 110610000 chi.ab /MHz [-49.77] 11 220010000 chi.aa*3/2 /MHz -56.133(12) 12 220040000 chi(b-c)/4 /MHz -7.0351(21) 13 220610000 chi.ab /MHz [53.26] 14 CORRELATION COEFFICIENTS, C.ij: A B C -DJ -dJ chi.aa*3 chi(b-c) chi.aa*3 A 1.0000 B 0.7492 1.0000 C -0.6015 -0.5518 1.0000 -DJ -0.7531 -0.8451 0.2004 1.0000 -dJ -0.8366 -0.9200 0.6276 0.8698 1.0000 chi.aa*3/2 0.0434 0.0525 -0.0494 -0.0474 -0.0630 1.0000 chi(b-c)/4 -0.0523 0.1021 -0.0470 -0.0356 -0.0566 0.2669 1.0000 chi.aa*3/2 0.0055 -0.1239 0.0026 0.0676 0.0651 -0.6683 -0.2639 1.0000 chi(b-c)/4 -0.1068 -0.0705 -0.0065 0.0719 0.0568 -0.0758 -0.2278 0.2223 chi(b-c) chi(b-c)/4 1.0000 Mean value of |C.ij|, i.ne.j = 0.2724 Mean value of C.ij, i.ne.j = -0.0833 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 147: -2.4 12: -2.1 132: 2.1 242: -2.1 181: -1.9 250: 1.9 26: -1.9 202: 1.9 40: -1.9 33: 1.9 133: 1.9 171: 1.8 131: 1.8 218: -1.8 265: 1.7 201: 1.7 257: -1.7 55: -1.7 75: -1.6 178: 1.6 262: -1.6 175: 1.6 255: -1.6 66: -1.6 86: 1.5 134: 1.5 83: 1.5 39: -1.5 153: -1.5 32: 1.5 176: 1.5 216: -1.5 77: -1.5 186: -1.4 107: -1.4 219: -1.4 137: -1.4 252: -1.4 47: -1.4 135: 1.4 247: -1.4 246: 1.4 150: 1.4 124: 1.4 243: -1.4 177: 1.4 148: -1.4 109: 1.4 2: 1.4 130: 1.4 147: 5 2 3 1 5 4 2 2 1 4 12424.3556 -0.0047 0.002 12: 5 1 5 0 5 4 1 4 0 4 8923.9551 -0.0043 0.002 132: 6 1 5 1 5 5 1 4 1 4 12220.1544 0.0041 0.002 242: 6 3 3 2 8 5 3 2 2 7 15428.8291 -0.0041 0.002 181: 7 1 6 2 7 6 1 5 0 6 13812.7557 -0.0039 0.002 250: 7 2 5 3 6 6 2 4 3 5 15607.6303 0.0039 0.002 26: 5 0 5 2 6 4 0 4 2 5 8933.0511 -0.0038 0.002 202: 6 4 3 3 8 5 4 2 3 7 14257.7319 0.0038 0.002 40: 4 3 1 3 5 3 3 0 3 4 9967.2415 -0.0038 0.002 33: 4 1 3 3 5 3 1 2 3 4 9136.0758 0.0038 0.002 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM