Deuterated bromoform, 3x79Br (atom in ac plane) Thu Aug 23 09:04:38 2018 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= 1: 1 0 3 2 3 0 0 2 2 2 2473.7143 0.0248 0.010 2: 1 0 3 3 6 0 0 2 3 5 2515.7758 0.0056 0.010 3: 1 0 3 2 2 0 0 2 2 2 2533.8978 -0.0210 0.010 4: 1 0 3 1 3 0 0 2 1 2 2540.5552 0.0150 0.010 0.0015 0.58 5: 1 0 3 1 3 0 0 2 1 3 2540.5552 -0.0173 0.010 0.0015 0.42 6: 1 0 1 1 2 0 0 2 1 2 2579.3615 0.0264 0.010 0.0064 0.38 7: 1 0 1 1 2 0 0 2 1 3 2579.3615 -0.0059 0.010 0.0064 0.62 8: 1 0 1 3 4 0 0 2 3 5 2585.1601 0.0067 0.010 0.0000 0.77 9: 1 0 1 3 4 0 0 2 1 3 2585.1601 -0.0222 0.010 0.0000 0.23 ! ! 10: 2 -1 3 2 5 1 1 3 2 5 4761.0856 0.0033 0.010 11: 2 1 2 2 4 1 -1 2 2 4 4765.2117 0.0152 0.010 12: 2 -1 3 2 3 1 1 3 2 4 4769.5466 -0.0162 0.010 13: 2 -1 2 2 1 1 1 3 2 2 4776.1350 -0.0003 0.010 14: 2 -1 2 2 4 1 1 1 2 3 4795.0348 0.0001 0.010 15: 2 -1 4 2 2 1 1 3 2 2 4805.6811 -0.0017 0.010 16: 2 1 2 0 2 1 -1 2 0 2 4812.3718 0.0174 0.010 17: 2 -1 2 2 3 1 1 3 2 2 4818.1408 0.0091 0.010 18: 2 -1 3 0 3 1 1 3 0 3 4819.3876 -0.0045 0.010 19: 2 1 4 1 4 1 1 3 2 4 4846.2070 0.0038 0.010 20: 2 0 3 1 3 1 0 3 1 3 4855.3327 -0.0036 0.010 21: 2 0 2 3 4 1 0 1 3 4 4867.7247 0.0139 0.010 22: 2 0 3 3 6 1 0 3 3 6 4878.8635 -0.0011 0.010 -0.0060 0.91 23: 2 1 2 1 3 1 1 1 2 2 4878.8635 -0.0541 0.010 -0.0060 0.09 24: 2 0 2 1 1 1 0 1 1 1 4882.0432 0.0038 0.010 25: 2 1 3 2 4 1 -1 2 2 4 4894.8458 -0.0221 0.010 26: 2 1 3 2 5 1 -1 2 2 4 4901.4068 0.0016 0.010 27: 2 1 3 1 2 1 1 3 2 1 4901.7277 -0.0040 0.010 28: 2 1 4 0 4 1 1 2 3 3 4909.1485 0.0086 0.010 29: 2 0 2 3 4 1 0 3 1 3 4912.3189 -0.0015 0.010 30: 2 0 3 1 4 1 0 2 3 4 4916.7150 0.0180 0.010 31: 2 0 2 0 2 1 0 3 2 2 4919.1652 0.0143 0.010 32: 2 -1 3 0 3 1 1 2 0 2 4924.4110 0.0027 0.010 33: 2 -1 3 2 3 1 -1 2 3 3 4944.0886 0.0033 0.010 34: 2 1 3 3 4 1 1 3 0 3 4952.0823 0.0000 0.010 35: 2 1 1 2 3 1 1 3 3 2 4952.8133 0.0073 0.010 36: 2 1 4 2 5 1 -1 3 2 4 4953.3849 -0.0009 0.010 37: 2 1 4 2 5 1 -1 3 2 5 4954.2183 0.0076 0.010 38: 2 1 4 2 6 1 -1 3 2 5 4955.1475 0.0097 0.010 39: 2 0 4 2 4 1 0 3 2 3 4963.3303 0.0066 0.010 40: 2 0 1 1 2 1 0 1 1 2 4964.2042 0.0076 0.010 41: 2 0 4 2 3 1 0 3 2 2 4965.7341 -0.0128 0.010 42: 2 0 1 3 3 1 0 1 3 4 4975.7816 -0.0028 0.010 43: 2 0 4 3 7 1 0 3 3 6 4976.4959 0.0001 0.010 44: 2 0 3 2 1 1 0 2 2 1 4977.3179 0.0050 0.010 45: 2 0 3 3 5 1 0 2 3 5 4980.3888 0.0020 0.010 46: 2 1 3 1 2 1 -1 2 3 3 4984.3840 0.0131 0.010 47: 2 1 2 2 4 1 1 2 3 3 4988.9364 0.0026 0.010 48: 2 0 4 1 4 1 0 3 1 3 4991.0055 0.0016 0.010 49: 2 1 4 3 1 1 1 1 0 1 4994.3216 -0.0086 0.010 50: 2 1 3 2 3 1 1 3 1 3 4996.5570 0.0050 0.010 51: 2 0 2 3 4 1 0 2 3 4 4996.9194 -0.0040 0.010 52: 2 -1 4 2 6 1 1 3 2 5 4997.0393 -0.0001 0.010 53: 2 -1 4 2 5 1 1 3 2 5 4998.9767 0.0017 0.010 54: 2 -1 4 2 5 1 1 3 2 4 5002.6537 -0.0039 0.010 55: 2 1 3 3 3 1 1 3 2 2 5003.2850 0.0046 0.010 -0.0016 0.81 56: 2 1 3 2 2 1 1 3 1 3 5003.2850 -0.0284 0.010 -0.0016 0.19 57: 2 0 3 3 6 1 0 2 3 5 5005.0996 -0.0099 0.010 58: 2 -1 4 2 2 1 1 2 0 2 5008.5090 -0.0012 0.010 59: 2 -1 1 2 2 1 1 1 2 3 5011.5205 -0.0007 0.010 60: 2 1 1 2 2 1 -1 1 2 3 5013.9666 -0.0003 0.010 61: 2 0 1 1 1 1 0 1 1 1 5014.5799 0.0007 0.010 62: 2 0 4 1 5 1 0 2 3 4 5017.7156 0.0108 0.010 63: 2 1 4 1 4 1 -1 2 3 3 5020.7279 0.0023 0.010 64: 2 -1 2 2 3 1 1 2 0 2 5020.9621 0.0030 0.010 65: 2 0 2 0 2 1 0 2 2 1 5023.3819 0.0077 0.010 66: 2 1 4 1 4 1 1 2 2 4 5024.5242 -0.0015 0.010 67: 2 0 2 3 4 1 0 2 1 3 5025.0135 0.0041 0.010 68: 2 0 4 2 3 1 0 3 2 3 5025.9930 0.0167 0.010 69: 2 1 1 0 1 1 1 3 3 1 5027.7665 0.0055 0.010 70: 2 0 2 1 3 1 0 2 1 3 5029.6883 0.0067 0.010 71: 2 -1 2 3 3 1 -1 1 2 3 5030.8125 0.0008 0.010 72: 2 1 3 0 3 1 1 2 3 3 5053.7528 -0.0063 0.010 73: 2 1 3 2 2 1 -1 3 2 1 5101.4796 0.0074 0.010 74: 2 -1 2 2 4 1 -1 2 3 3 5126.9662 0.0068 0.010 75: 2 -1 2 2 4 1 1 2 2 4 5130.7634 0.0038 0.010 76: 2 1 3 2 4 1 -1 3 2 4 5136.2482 0.0052 0.010 77: 2 1 3 2 5 1 -1 3 2 5 5143.5977 -0.0072 0.010 78: 2 1 3 3 4 1 -1 2 3 3 5158.7364 -0.0046 0.010 79: 2 1 4 3 1 1 1 3 2 1 5164.8299 0.0097 0.010 80: 2 1 2 2 3 1 -1 1 2 3 5172.5901 -0.0014 0.010 81: 2 1 2 2 4 1 -1 1 2 3 5188.1009 0.0039 0.010 82: 2 1 3 2 2 1 1 3 3 1 5241.4366 0.0010 0.010 ! ! 83: 3 1 4 2 6 2 -1 4 2 6 7205.4988 0.0095 0.010 84: 3 1 4 2 4 2 -1 2 2 4 7268.2848 -0.0024 0.010 85: 3 2 4 3 4 2 2 3 0 3 7356.5666 -0.0043 0.010 86: 3 2 4 1 5 2 -2 3 3 4 7371.2378 0.0027 0.010 0.0060 0.50 87: 3 0 2 3 4 2 0 1 3 3 7371.2378 0.0093 0.010 0.0060 0.50 88: 3 2 5 0 5 2 -2 3 2 4 7378.7619 0.0044 0.010 89: 3 3 5 2 5 2 -1 4 2 5 7389.8367 0.0069 0.010 90: 3 1 3 2 4 2 -1 2 2 3 7393.1177 0.0019 0.010 91: 3 0 2 3 4 2 0 4 1 4 7400.6211 0.0022 0.010 92: 3 0 4 2 2 2 0 2 0 2 7402.4897 0.0110 0.010 93: 3 -1 4 1 4 2 1 3 3 3 7406.8182 -0.0065 0.010 94: 3 -1 3 0 3 2 1 2 2 2 7407.6797 -0.0182 0.010 95: 3 3 3 0 3 2 -1 4 2 2 7411.1525 0.0005 0.010 96: 3 3 3 0 3 2 -1 4 2 2 7411.1485 -0.0034 0.010 97: 3 0 3 3 5 2 0 2 3 4 7411.2022 0.0050 0.010 98: 3 0 3 1 4 2 0 2 1 3 7412.0345 -0.0001 0.010 99: 3 0 4 3 6 2 0 3 3 6 7413.3101 0.0019 0.010 100: 3 1 5 1 4 2 -1 4 3 4 7413.5552 0.0032 0.010 101: 3 -1 4 3 3 2 -1 2 2 2 7418.9720 0.0041 0.010 -0.0155 0.54 102: 3 1 5 2 4 2 1 2 3 3 7418.9720 -0.0383 0.010 -0.0155 0.46 103: 3 1 3 2 1 2 -1 2 2 1 7419.7384 -0.0045 0.010 104: 3 1 4 2 3 2 1 3 1 2 7420.4445 0.0246 0.010 0.0032 0.25 105: 3 -1 5 0 5 2 1 4 0 4 7420.4445 -0.0040 0.010 0.0032 0.75 106: 3 -1 4 2 6 2 1 3 2 5 7421.7132 -0.0051 0.010 -0.0220 0.66 107: 3 1 4 1 4 2 -1 3 1 3 7421.7132 -0.0546 0.010 -0.0220 0.34 108: 3 1 2 2 3 2 1 3 3 3 7422.4753 0.0489 0.010 0.0133 0.24 109: 3 -2 4 3 5 2 0 3 1 4 7422.4753 0.0023 0.010 0.0133 0.76 110: 3 -2 4 3 5 2 0 3 3 5 7425.1929 -0.0054 0.010 111: 3 -1 5 3 2 2 1 4 3 1 7426.5191 0.0019 0.010 112: 3 1 4 3 2 2 -1 2 3 2 7427.3095 0.0004 0.010 113: 3 -1 5 3 5 2 1 4 1 4 7427.9671 0.0009 0.010 114: 3 2 4 1 5 2 -2 4 3 4 7431.0341 -0.0111 0.010 115: 3 -2 3 2 5 2 2 2 2 4 7431.8228 0.0032 0.010 0.0098 0.59 116: 3 0 2 1 2 2 0 1 1 1 7431.8228 0.0193 0.010 0.0098 0.41 117: 3 -1 5 1 4 2 -1 3 0 3 7432.1955 -0.0111 0.010 118: 3 -2 4 1 5 2 -2 2 2 4 7432.7171 0.0055 0.010 119: 3 -1 3 2 4 2 1 3 0 3 7435.0706 0.0021 0.010 120: 3 2 3 2 4 2 -2 2 2 3 7435.8197 0.0066 0.010 121: 3 -1 2 2 3 2 1 2 0 2 7436.0864 -0.0115 0.010 122: 3 -1 5 2 6 2 1 4 2 6 7436.2381 -0.0093 0.010 123: 3 -1 4 2 3 2 1 3 2 2 7436.4242 -0.0197 0.010 124: 3 -1 5 2 6 2 1 4 2 5 7437.2011 0.0265 0.010 0.0057 0.47 125: 3 0 5 1 6 2 0 4 1 5 7437.2011 -0.0130 0.010 0.0057 0.53 126: 3 0 5 2 4 2 0 4 2 3 7437.4029 -0.0135 0.010 127: 3 0 4 2 5 2 0 4 2 4 7437.7981 0.0051 0.010 128: 3 -1 5 2 7 2 1 4 2 6 7437.9647 -0.0051 0.010 129: 3 0 4 3 6 2 0 3 3 5 7438.0169 -0.0141 0.010 130: 3 2 3 2 3 2 2 2 3 3 7438.0817 -0.0041 0.010 131: 3 1 4 1 5 2 1 3 2 4 7439.0700 -0.0063 0.010 132: 3 -2 4 1 3 2 0 3 3 2 7439.5567 -0.0081 0.010 -0.0103 0.55 133: 3 2 3 3 5 2 -2 2 3 4 7439.5567 -0.0130 0.010 -0.0103 0.45 134: 3 3 5 2 5 2 -1 2 2 4 7440.0374 -0.0129 0.010 135: 3 1 4 2 6 2 -1 3 2 5 7441.4393 -0.0072 0.010 136: 3 -1 4 0 4 2 1 2 2 3 7442.0958 -0.0010 0.010 137: 3 0 3 3 4 2 0 3 1 3 7443.8810 0.0020 0.010 138: 3 0 2 3 2 2 0 1 3 3 7444.3474 -0.0040 0.010 139: 3 -1 3 1 4 2 1 3 1 3 7444.7831 0.0104 0.010 140: 3 -3 4 1 5 2 1 3 3 4 7445.3823 -0.0095 0.010 141: 3 -2 5 2 6 2 -2 2 3 5 7446.4754 0.0080 0.010 142: 3 2 5 2 6 2 2 2 3 5 7449.7964 0.0105 0.010 143: 3 1 4 2 4 2 -1 3 2 3 7451.1576 -0.0038 0.010 144: 3 2 5 2 7 2 2 4 3 6 7451.5652 0.0019 0.010 145: 3 -2 5 2 7 2 -2 4 3 6 7451.9405 0.0075 0.010 0.0117 0.73 146: 3 -2 5 1 6 2 -2 4 2 5 7451.9405 0.0230 0.010 0.0117 0.27 147: 3 0 3 2 3 2 0 2 0 2 7452.3400 0.0007 0.010 148: 3 -1 4 2 4 2 1 3 2 4 7452.6558 -0.0056 0.010 149: 3 3 4 3 3 2 -1 2 3 3 7456.1891 0.0016 0.010 150: 3 1 5 2 6 2 -1 4 2 5 7458.4294 -0.0032 0.010 151: 3 0 4 3 7 2 0 3 3 6 7459.5476 -0.0089 0.010 152: 3 1 5 2 7 2 -1 4 2 6 7459.7791 -0.0024 0.010 153: 3 1 5 2 6 2 -1 4 2 6 7460.3663 -0.0018 0.010 154: 3 1 4 2 3 2 -1 3 2 3 7460.7060 0.0004 0.010 155: 3 0 3 3 4 2 0 3 1 4 7467.1284 0.0070 0.010 156: 3 -1 2 2 2 2 1 1 2 2 7468.5368 0.0008 0.010 157: 3 3 4 1 4 2 -1 2 3 3 7472.3951 -0.0144 0.010 158: 3 3 5 3 5 2 1 2 2 4 7473.0200 -0.0075 0.010 -0.0085 0.79 159: 3 3 4 3 3 2 1 1 2 2 7473.0200 -0.0121 0.010 -0.0085 0.21 160: 3 0 3 1 4 2 0 3 1 3 7473.6888 -0.0021 0.010 161: 3 0 2 3 4 2 0 2 1 3 7474.6266 -0.0035 0.010 162: 3 -1 3 2 2 2 1 2 2 1 7475.7162 0.0060 0.010 163: 3 0 2 3 4 2 0 2 3 4 7479.3020 -0.0002 0.010 164: 3 3 3 2 2 2 1 3 1 2 7480.0353 -0.0019 0.010 165: 3 0 3 3 3 2 0 2 1 3 7484.7269 -0.0032 0.010 166: 3 -1 2 3 5 2 1 1 3 4 7486.1507 0.0153 0.010 0.0094 0.61 167: 3 -1 2 2 1 2 1 1 2 2 7486.1507 0.0001 0.010 0.0094 0.39 168: 3 0 5 1 5 2 0 4 1 5 7490.8266 0.0001 0.010 169: 3 0 3 3 5 2 0 3 1 4 7491.4190 -0.0047 0.010 170: 3 1 4 3 2 2 1 1 0 1 7492.6358 0.0032 0.010 171: 3 0 3 3 5 2 0 3 3 5 7494.1410 -0.0080 0.010 172: 3 1 3 2 4 2 1 4 1 4 7494.9957 0.0039 0.010 173: 3 3 2 1 3 2 -1 2 3 2 7499.6620 0.0030 0.010 174: 3 -2 4 0 4 2 -2 4 3 3 7501.1440 -0.0034 0.010 175: 3 -1 4 0 4 2 1 4 0 4 7506.3929 0.0075 0.010 176: 3 -1 5 3 5 2 -1 3 2 5 7509.4038 -0.0006 0.010 177: 3 0 2 1 1 2 0 2 1 1 7509.7140 -0.0053 0.010 178: 3 2 4 2 5 2 -2 4 0 4 7510.8510 -0.0062 0.010 179: 3 0 5 1 5 2 0 2 3 4 7511.6181 0.0102 0.010 180: 3 2 5 0 5 2 -2 4 0 4 7515.8906 -0.0038 0.010 181: 3 0 5 1 6 2 0 3 3 6 7516.2305 0.0059 0.010 182: 3 2 2 2 3 2 -2 1 2 2 7516.7454 0.0104 0.010 183: 3 2 2 0 2 2 -2 1 0 1 7526.5512 0.0005 0.010 184: 3 3 5 2 5 2 1 4 1 4 7546.2883 0.0040 0.010 185: 3 0 2 3 4 2 0 3 3 5 7562.2442 -0.0100 0.010 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 1239.55580(16) 1 -20000 B /MHz 1239.55580(16) = 1.00000 * 1 30000 C /MHz 633.704(43) 2 200 DJ /kHz [ 0.2473] 3 1100 DJK /kHz [-0.4118] 4 2000 DK /kHz [ 0.187] 5 40100 d1 /kHz [ 0.] 6 50000 d2 /kHz [ 0.] 7 110030000 chi.cc*3/2 /MHz -348.8563(76) 8 -220030000 chi.cc*3 /MHz -348.8563(76) = 1.00000 * 8 -330030000 . /MHz -348.8563(76) = 1.00000 * 8 110040000 chi(b-a)/4 /MHz -214.0176(26) 9 -220040000 chi(a-b) /MHz 107.0088(13) = -0.50000 * 9 -330040000 . /MHz 107.0088(13) = -0.50000 * 9 -220610000 chi.ab /MHz -370.6895(45) = 1.73205 * 9 -330610000 . /MHz 370.6895(45) = -1.73205 * 9 110410000 chi.ac /MHz -257.482(21) 10 -220410000 chi.ac /MHz 128.741(10) = -0.50000 * 10 -330410000 . /MHz 128.741(10) = -0.50000 * 10 -220210000 chi.bc /MHz -222.985(18) = 0.86603 * 10 -330210000 . /MHz 222.985(18) = -0.86603 * 10 10010000 M.aa {+IMJ /MHz [ 0.] 11 -20010000 M.aa /MHz [ 0.] = 0.25000 * 11 -20020000 M.bb /MHz [ 0.] = 0.75000 * 11 -30010000 M.aa /MHz [ 0.] = 0.25000 * 11 -30020000 M.bb /MHz [ 0.] = 0.75000 * 11 10020000 M.bb {+IMJ /MHz 0.00196(60) 12 -20010000 M.aa /MHz 0.00147(45) = 0.75000 * 12 -20020000 M.bb /MHz 0.00049(15) = 0.25000 * 12 -30010000 M.aa /MHz 0.00147(45) = 0.75000 * 12 -30020000 M.bb /MHz 0.00049(15) = 0.25000 * 12 10030000 M.cc {+IMJ /MHz 0.0025(14) 13 -20030000 M.cc /MHz 0.0025(14) = 1.00000 * 13 -30030000 M.cc /MHz 0.0025(14) = 1.00000 * 13 MICROWAVE AVG = 0.000373 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.007989 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.79887 0.79887 distinct frequency lines in fit: 169 distinct parameters of fit: 7 upper state lower state overall limits of quantum number 1: 1 3 0 2 0 3 limits of quantum number 2: -3 3 -2 2 -3 3 limits of quantum number 3: 1 5 1 4 1 5 limits of quantum number 4: 0 3 0 3 0 3 limits of quantum number 5: 1 7 1 6 1 7 frequency range: 2473 7562 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 1239.55581(13) 1 -20000 B /MHz 1239.55581(13) = 1.00000 * 1 30000 C /MHz 633.704(35) 2 200 DJ /kHz [ 0.2473] 3 1100 DJK /kHz [-0.4118] 4 2000 DK /kHz [ 0.187] 5 40100 d1 /kHz [ 0.] 6 50000 d2 /kHz [ 0.] 7 110030000 chi.cc*3/2 /MHz -348.8563(62) 8 -220030000 chi.cc*3 /MHz -348.8563(62) = 1.00000 * 8 -330030000 . /MHz -348.8563(62) = 1.00000 * 8 110040000 chi(b-a)/4 /MHz -214.0177(21) 9 -220040000 chi(a-b) /MHz 107.0088(10) = -0.50000 * 9 -330040000 . /MHz 107.0088(10) = -0.50000 * 9 -220610000 chi.ab /MHz -370.6895(36) = 1.73205 * 9 -330610000 . /MHz 370.6895(36) = -1.73205 * 9 110410000 chi.ac /MHz -257.482(17) 10 -220410000 chi.ac /MHz 128.7410(89) = -0.50000 * 10 -330410000 . /MHz 128.7410(89) = -0.50000 * 10 -220210000 chi.bc /MHz -222.986(15) = 0.86603 * 10 -330210000 . /MHz 222.986(15) = -0.86603 * 10 10010000 M.aa {+IMJ /MHz [ 0.] 11 -20010000 M.aa /MHz [ 0.] = 0.25000 * 11 -20020000 M.bb /MHz [ 0.] = 0.75000 * 11 -30010000 M.aa /MHz [ 0.] = 0.25000 * 11 -30020000 M.bb /MHz [ 0.] = 0.75000 * 11 10020000 M.bb {+IMJ /MHz 0.00196(48) 12 -20010000 M.aa /MHz 0.00147(36) = 0.75000 * 12 -20020000 M.bb /MHz 0.00049(12) = 0.25000 * 12 -30010000 M.aa /MHz 0.00147(36) = 0.75000 * 12 -30020000 M.bb /MHz 0.00049(12) = 0.25000 * 12 10030000 M.cc {+IMJ /MHz 0.0026(11) 13 -20030000 M.cc /MHz 0.0026(11) = 1.00000 * 13 -30030000 M.cc /MHz 0.0026(11) = 1.00000 * 13 ------------------------------------------------------------------------------------------ Worst fitted constants, with greater than 20% uncertainty: % 10020000 M.bb {+IMJ /MHz 0.00196(48) 12 25.0 -20010000 M.aa /MHz 0.00147(36) = 0.75000 * 12 25.0 -20020000 M.bb /MHz 0.00049(12) = 0.25000 * 12 25.0 -30010000 M.aa /MHz 0.00147(36) = 0.75000 * 12 25.0 -30020000 M.bb /MHz 0.00049(12) = 0.25000 * 12 25.0 10030000 M.cc {+IMJ /MHz 0.0026(11) 13 45.5 -20030000 M.cc /MHz 0.0026(11) = 1.00000 * 13 45.5 -30030000 M.cc /MHz 0.0026(11) = 1.00000 * 13 45.5 ------------------------------------------------------------------------------------------ CORRELATION COEFFICIENTS, C.ij: A C chi.cc*3 chi(b-a) chi.ac M.bb {+I M.cc {+I A 1.0000 C -0.1557 1.0000 chi.cc*3/2 0.1003 0.1760 1.0000 chi(b-a)/4 0.0866 -0.0550 -0.1273 1.0000 chi.ac 0.0710 0.5900 -0.0214 0.1087 1.0000 M.bb {+IMJ 0.1512 0.1471 -0.0069 -0.0463 0.0843 1.0000 M.cc {+IMJ -0.1018 -0.0198 0.0672 0.1581 -0.0342 -0.0518 1.0000 Mean value of |C.ij|, i.ne.j = 0.1124 Mean value of C.ij, i.ne.j = 0.0534 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 1: 2.5 25: -2.2 106: -2.2 3: -2.1 123: -2.0 94: -1.8 30: 1.8 16: 1.7 68: 1.7 12: -1.6 101: -1.6 11: 1.5 157: -1.4 31: 1.4 129: -1.4 21: 1.4 126: -1.3 108: 1.3 46: 1.3 134: -1.3 41: -1.3 145: 1.2 121: -1.1 114: -1.1 117: -1.1 92: 1.1 62: 1.1 142: 1.1 139: 1.0 182: 1.0 132: -1.0 179: 1.0 185: -1.0 57: -1.0 115: 1.0 38: 1.0 79: 1.0 83: 0.9 140: -0.9 166: 0.9 122: -0.9 17: 0.9 151: -0.9 49: -0.9 28: 0.9 158: -0.8 141: 0.8 171: -0.8 65: 0.8 40: 0.8 1: 1 0 3 2 3 0 0 2 2 2 2473.7143 0.0248 0.010 25: 2 1 3 2 4 1 -1 2 2 4 4894.8458 -0.0221 0.010 106: 3 -1 4 2 6 2 1 3 2 5 7421.7132 -0.0051 0.010 -0.0220 0.66 3: 1 0 3 2 2 0 0 2 2 2 2533.8978 -0.0210 0.010 123: 3 -1 4 2 3 2 1 3 2 2 7436.4242 -0.0197 0.010 94: 3 -1 3 0 3 2 1 2 2 2 7407.6797 -0.0182 0.010 30: 2 0 3 1 4 1 0 2 3 4 4916.7150 0.0180 0.010 16: 2 1 2 0 2 1 -1 2 0 2 4812.3718 0.0174 0.010 68: 2 0 4 2 3 1 0 3 2 3 5025.9930 0.0167 0.010 12: 2 -1 3 2 3 1 1 3 2 4 4769.5466 -0.0162 0.010 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM