CH2CL2: v4=3 Fri Jun 21 15:04:33 2024 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! 1: 32 3 29 3 31 31 4 28 3 30 8403.2850 -0.0010 0.010 2: 32 3 29 3 33 31 4 28 3 32 8403.5345 -0.0108 0.010 ! 3: 30 4 26 3 33 31 3 29 3 34 8455.0869 -0.0083 0.010 4: 30 4 26 1 30 31 3 29 1 31 8455.5440 -0.0114 0.010 -0.0021 0.24 5: 30 4 26 0 30 31 3 29 0 31 8455.5440 -0.0097 0.010 -0.0021 0.24 6: 30 4 26 2 32 31 3 29 2 33 8455.5440 0.0012 0.010 -0.0021 0.26 7: 30 4 26 1 31 31 3 29 1 32 8455.5440 0.0110 0.010 -0.0021 0.25 8: 30 4 26 3 27 31 3 29 3 28 8455.9840 -0.0083 0.010 9: 30 4 26 3 29 31 3 29 3 30 8456.2048 0.0113 0.010 10: 30 4 26 1 29 31 3 29 1 30 8456.5335 -0.0026 0.010 -0.0026 0.32 11: 30 4 26 2 29 31 3 29 2 30 8456.5335 0.0026 0.010 -0.0026 0.32 12: 30 4 26 3 32 31 3 29 3 33 8456.5335 -0.0072 0.010 -0.0026 0.35 13: 30 4 26 3 31 31 3 29 3 32 8457.0765 -0.0020 0.010 ! 14: 34 3 32 3 34 33 4 29 3 33 9526.8117 -0.0034 0.010 -0.0034 0.50 15: 34 3 32 0 34 33 4 29 2 33 9526.8117 -0.0033 0.010 -0.0034 0.50 16: 34 3 32 1 35 33 4 29 1 34 9527.5559 0.0142 0.010 0.0070 0.20 17: 34 3 32 2 33 33 4 29 2 32 9527.5559 0.0025 0.010 0.0070 0.19 18: 34 3 32 2 35 33 4 29 2 34 9527.5559 0.0149 0.010 0.0070 0.20 19: 34 3 32 1 33 33 4 29 1 32 9527.5559 0.0030 0.010 0.0070 0.19 20: 34 3 32 2 36 33 4 29 2 35 9527.5559 -0.0001 0.010 0.0070 0.21 21: 34 3 32 1 34 33 4 29 1 33 9528.2813 0.0010 0.010 0.0010 0.50 22: 34 3 32 2 34 33 4 29 0 33 9528.2813 0.0010 0.010 0.0010 0.50 ! 23: 10 2 9 2 10 11 1 10 2 11 9818.3860 -0.0031 0.010 24: 10 2 9 1 9 11 1 10 1 10 9819.0186 0.0025 0.010 25: 10 2 9 3 8 11 1 10 3 9 9823.3612 0.0060 0.010 26: 10 2 9 3 13 11 1 10 3 14 9825.1342 -0.0039 0.010 27: 10 2 9 1 10 11 1 10 1 11 9825.6941 0.0018 0.010 0.0021 0.50 28: 10 2 9 0 10 11 1 10 0 11 9825.6941 0.0024 0.010 0.0021 0.50 ! 29: 38 5 34 3 38 39 4 35 3 39 9943.2635 0.0185 0.010 0.0206 0.50 30: 38 5 34 0 38 39 4 35 2 39 9943.2635 0.0226 0.010 0.0206 0.50 31: 38 5 34 2 36 39 4 35 2 37 9943.8139 -0.0091 0.010 -0.0010 0.16 32: 38 5 34 1 39 39 4 35 1 40 9943.8139 0.0008 0.010 -0.0010 0.17 33: 38 5 34 2 39 39 4 35 2 40 9943.8139 0.0031 0.010 -0.0010 0.17 34: 38 5 34 1 37 39 4 35 1 38 9943.8139 0.0024 0.010 -0.0010 0.16 35: 38 5 34 2 37 39 4 35 2 38 9943.8139 0.0039 0.010 -0.0010 0.16 36: 38 5 34 2 40 39 4 35 2 41 9943.8139 -0.0075 0.010 -0.0010 0.18 37: 38 5 34 1 38 39 4 35 1 39 9944.3632 -0.0162 0.010 -0.0163 0.50 38: 38 5 34 2 38 39 4 35 0 39 9944.3632 -0.0162 0.010 -0.0163 0.50 ! 39: 6 0 6 3 3 5 1 5 3 2 10615.6357 -0.0094 0.010 40: 6 0 6 3 4 5 1 5 3 3 10617.1455 0.0046 0.010 41: 6 0 6 1 6 5 1 5 1 5 10617.2866 0.0000 0.010 -0.0064 0.50 42: 6 0 6 2 6 5 1 5 0 5 10617.2866 -0.0126 0.010 -0.0064 0.50 43: 6 0 6 3 9 5 1 5 3 8 10618.4564 -0.0019 0.010 44: 6 0 6 3 5 5 1 5 3 4 10619.3818 0.0021 0.010 45: 6 0 6 1 7 5 1 5 1 6 10620.2657 0.0001 0.010 46: 6 0 6 2 8 5 1 5 2 7 10620.6924 -0.0012 0.010 47: 6 0 6 3 6 5 1 5 3 5 10622.7530 -0.0039 0.010 48: 6 0 6 1 5 5 1 5 1 4 10622.8706 0.0117 0.010 0.0022 0.19 49: 6 0 6 3 8 5 1 5 3 7 10622.8706 -0.0038 0.010 0.0022 0.31 50: 6 0 6 1 5 5 1 5 1 4 10622.8706 0.0117 0.010 0.0022 0.19 51: 6 0 6 3 8 5 1 5 3 7 10622.8706 -0.0038 0.010 0.0022 0.31 52: 6 0 6 0 6 5 1 5 2 5 10624.1060 0.0132 0.010 53: 6 0 6 3 7 5 1 5 3 6 10624.8611 0.0000 0.010 ! 54: 19 3 17 3 20 20 2 18 3 21 11329.0214 0.0104 0.010 55: 19 3 17 3 18 20 2 18 3 19 11329.3954 0.0005 0.010 56: 19 3 17 3 21 20 2 18 3 22 11330.9933 0.0000 0.010 57: 19 3 17 1 20 20 2 18 1 21 11331.3889 -0.0017 0.010 0.0043 0.25 58: 19 3 17 2 21 20 2 18 2 22 11331.3889 0.0100 0.010 0.0043 0.25 59: 19 3 17 2 18 20 2 18 2 19 11331.3889 0.0167 0.010 0.0043 0.25 60: 19 3 17 1 18 20 2 18 1 19 11331.3889 -0.0080 0.010 0.0043 0.25 61: 19 3 17 3 17 20 2 18 3 18 11331.7741 -0.0029 0.010 62: 19 3 17 3 22 20 2 18 3 23 11333.3613 -0.0029 0.010 63: 19 3 17 2 19 20 2 18 0 20 11333.5490 -0.0043 0.010 -0.0043 0.50 64: 19 3 17 1 19 20 2 18 1 20 11333.5490 -0.0043 0.010 -0.0043 0.50 65: 19 3 17 3 16 20 2 18 3 17 11333.7409 -0.0188 0.010 ! 66: 27 2 26 3 28 26 3 23 3 27 11877.9508 -0.0083 0.010 67: 27 2 26 3 27 26 3 23 3 26 11878.1100 0.0050 0.010 0.0135 0.50 68: 27 2 26 0 27 26 3 23 2 26 11878.1100 0.0218 0.010 0.0135 0.50 69: 27 2 26 3 26 26 3 23 3 25 11878.2146 -0.0127 0.010 70: 27 2 26 3 29 26 3 23 3 28 11880.7293 0.0072 0.010 71: 27 2 26 1 26 26 3 23 1 25 11881.0094 -0.0069 0.010 0.0037 0.48 72: 27 2 26 2 28 26 3 23 2 27 11881.0094 0.0135 0.010 0.0037 0.52 73: 27 2 26 3 25 26 3 23 3 24 11881.2798 -0.0064 0.010 74: 27 2 26 3 30 26 3 23 3 29 11883.7842 0.0121 0.010 75: 27 2 26 2 27 26 3 23 0 26 11883.9202 0.0039 0.010 0.0039 0.50 76: 27 2 26 1 27 26 3 23 1 26 11883.9202 0.0039 0.010 0.0039 0.50 77: 27 2 26 3 24 26 3 23 3 23 11884.0618 -0.0054 0.010 ! 78: 14 2 12 0 14 15 1 15 0 15 11890.1792 -0.0005 0.010 -0.0005 0.50 79: 14 2 12 1 14 15 1 15 1 15 11890.1792 -0.0004 0.010 -0.0005 0.50 80: 14 2 12 3 17 15 1 15 3 18 11890.7960 -0.0138 0.010 ! 81: 42 4 38 1 42 41 5 37 1 41 12089.7155 0.0188 0.010 0.0188 0.50 82: 42 4 38 2 42 41 5 37 0 41 12089.7155 0.0188 0.010 0.0188 0.50 83: 42 4 38 2 44 41 5 37 2 43 12090.5157 -0.0249 0.010 -0.0176 0.17 84: 42 4 38 2 43 41 5 37 2 42 12090.5157 -0.0119 0.010 -0.0176 0.17 85: 42 4 38 2 41 41 5 37 2 40 12090.5157 -0.0057 0.010 -0.0176 0.16 86: 42 4 38 1 41 41 5 37 1 40 12090.5157 -0.0105 0.010 -0.0176 0.16 87: 42 4 38 1 43 41 5 37 1 42 12090.5157 -0.0184 0.010 -0.0176 0.17 88: 42 4 38 2 40 41 5 37 2 39 12090.5157 -0.0341 0.010 -0.0176 0.16 89: 42 4 38 0 42 41 5 37 2 41 12091.3509 -0.0088 0.010 -0.0069 0.50 90: 42 4 38 3 42 41 5 37 3 41 12091.3509 -0.0051 0.010 -0.0069 0.50 ! 91: 21 3 18 1 21 22 2 21 1 22 12494.1953 -0.0019 0.010 unstable labeling 92: 21 3 18 1 22 22 2 21 1 23 12496.2157 0.0054 0.010 -0.0046 0.26 93: 21 3 18 2 22 22 2 21 2 23 12496.2157 -0.0044 0.010 -0.0046 0.26 94: 21 3 18 2 19 22 2 21 2 20 12496.2157 -0.0091 0.010 -0.0046 0.22 95: 21 3 18 2 23 22 2 21 2 24 12496.2157 -0.0106 0.010 -0.0046 0.27 96: 21 3 18 3 21 22 2 21 3 22 12498.2851 0.0139 0.010 ! 97: 23 2 21 2 23 22 3 20 2 22 12999.3670 0.0013 0.010 0.0014 0.50 98: 23 2 21 1 23 22 3 20 1 22 12999.3670 0.0013 0.010 0.0014 0.50 99: 23 2 21 2 21 22 3 20 2 20 13002.1090 -0.0034 0.010 -0.0020 0.23 100: 23 2 21 2 24 22 3 20 2 23 13002.1090 0.0075 0.010 -0.0020 0.26 101: 23 2 21 1 22 22 3 20 1 21 13002.1090 -0.0068 0.010 -0.0020 0.24 102: 23 2 21 2 25 22 3 20 2 24 13002.1090 -0.0058 0.010 -0.0020 0.27 103: 23 2 21 3 22 22 3 20 3 21 13004.6531 0.0061 0.010 104: 23 2 21 3 24 22 3 20 3 23 13005.0783 -0.0092 0.010 ! 105: 14 1 13 3 11 13 2 12 3 10 14056.9236 0.0016 0.010 106: 14 1 13 2 14 13 2 12 2 13 14057.4428 0.0206 0.010 0.0208 0.50 107: 14 1 13 1 14 13 2 12 1 13 14057.4428 0.0208 0.010 0.0208 0.50 108: 14 1 13 3 17 13 2 12 3 16 14057.8587 -0.0050 0.010 109: 14 1 13 3 12 13 2 12 3 11 14060.2734 -0.0002 0.010 110: 14 1 13 1 15 13 2 12 1 14 14061.2352 -0.0117 0.010 -0.0068 0.54 111: 14 1 13 3 13 13 2 12 3 12 14061.2352 -0.0010 0.010 -0.0068 0.46 112: 14 1 13 3 16 13 2 12 3 15 14062.2127 -0.0012 0.010 113: 14 1 13 1 13 13 2 12 1 12 14064.6974 -0.0047 0.010 114: 14 1 13 3 14 13 2 12 3 13 14065.0663 -0.0037 0.010 ! 115: 29 4 25 1 29 30 3 28 1 30 14601.0533 -0.0043 0.010 -0.0044 0.50 116: 29 4 25 2 29 30 3 28 0 30 14601.0533 -0.0043 0.010 -0.0044 0.50 117: 29 4 25 0 29 30 3 28 2 30 14602.0417 0.0082 0.010 0.0089 0.50 118: 29 4 25 3 29 30 3 28 3 30 14602.0417 0.0094 0.010 0.0089 0.50 ! 119: 28 4 25 2 26 29 3 26 2 27 14606.5967 -0.0042 0.010 -0.0009 0.19 120: 28 4 25 2 30 29 3 26 2 31 14606.5967 -0.0024 0.010 -0.0009 0.21 121: 28 4 25 2 29 29 3 26 2 30 14606.5967 0.0037 0.010 -0.0009 0.21 122: 28 4 25 1 27 29 3 26 1 28 14606.5967 -0.0002 0.010 -0.0009 0.19 123: 28 4 25 1 29 29 3 26 1 30 14606.5967 -0.0015 0.010 -0.0009 0.21 124: 28 4 25 2 28 29 3 26 0 29 14607.6216 -0.0077 0.010 -0.0077 0.50 125: 28 4 25 1 28 29 3 26 1 29 14607.6216 -0.0077 0.010 -0.0077 0.50 ! 126: 13 2 11 1 13 14 1 14 1 14 15456.1756 0.0071 0.010 0.0071 0.50 127: 13 2 11 0 13 14 1 14 0 14 15456.1756 0.0070 0.010 0.0071 0.50 128: 13 2 11 3 11 14 1 14 3 12 15461.9940 0.0080 0.010 129: 13 2 11 2 14 14 1 14 2 15 15463.4479 0.0082 0.010 0.0023 0.27 130: 13 2 11 2 12 14 1 14 2 13 15463.4479 -0.0112 0.010 0.0023 0.23 131: 13 2 11 2 15 14 1 14 2 16 15463.4479 0.0060 0.010 0.0023 0.29 132: 13 2 11 2 11 14 1 14 2 12 15463.4479 0.0044 0.010 0.0023 0.21 133: 13 2 11 3 15 14 1 14 3 16 15464.7281 -0.0172 0.010 134: 13 2 11 1 12 14 1 14 1 13 15469.9997 0.0038 0.010 135: 13 2 11 3 14 14 1 14 3 15 15471.3626 -0.0003 0.010 ! 136: 28 2 27 3 28 27 3 24 3 27 16102.4459 -0.0252 0.010 -0.0165 0.50 137: 28 2 27 0 28 27 3 24 2 27 16102.4459 -0.0077 0.010 -0.0165 0.50 138: 28 2 27 1 29 27 3 24 1 28 16105.5868 0.0029 0.010 0.0014 0.17 139: 28 2 27 2 30 27 3 24 2 29 16105.5868 0.0008 0.010 0.0014 0.18 140: 28 2 27 1 27 27 3 24 1 26 16105.5868 -0.0085 0.010 0.0014 0.16 141: 28 2 27 2 27 27 3 24 2 26 16105.5868 0.0006 0.010 0.0014 0.16 142: 28 2 27 2 26 27 3 24 2 25 16105.5868 0.0002 0.010 0.0014 0.15 143: 28 2 27 2 29 27 3 24 2 28 16105.5868 0.0112 0.010 0.0014 0.17 144: 28 2 27 1 28 27 3 24 1 27 16108.7149 0.0062 0.010 0.0063 0.50 145: 28 2 27 2 28 27 3 24 0 27 16108.7149 0.0062 0.010 0.0063 0.50 ! 146: 33 3 30 2 33 32 4 29 0 32 16399.3406 0.0028 0.010 0.0029 0.50 147: 33 3 30 1 33 32 4 29 1 32 16399.3406 0.0028 0.010 0.0029 0.50 148: 33 3 30 1 34 32 4 29 1 33 16400.9949 0.0007 0.010 0.0011 0.17 149: 33 3 30 1 32 32 4 29 1 31 16400.9949 0.0234 0.010 0.0011 0.16 150: 33 3 30 2 35 32 4 29 2 34 16400.9949 -0.0137 0.010 0.0011 0.18 151: 33 3 30 2 31 32 4 29 2 30 16400.9949 -0.0156 0.010 0.0011 0.16 152: 33 3 30 2 34 32 4 29 2 33 16400.9949 -0.0029 0.010 0.0011 0.17 153: 33 3 30 2 32 32 4 29 2 31 16400.9949 0.0159 0.010 0.0011 0.16 154: 33 3 30 0 33 32 4 29 2 32 16402.6431 0.0054 0.010 0.0110 0.50 155: 33 3 30 3 33 32 4 29 3 32 16402.6431 0.0165 0.010 0.0110 0.50 ! 156: 1 1 1 0 1 2 0 2 0 2 16538.1521 0.0168 0.010 157: 1 1 1 3 4 2 0 2 3 5 16543.8194 -0.0212 0.010 158: 1 1 1 3 3 2 0 2 3 4 16559.9065 0.0042 0.010 ! 159: 9 2 8 3 11 10 1 9 3 12 17558.6374 0.0203 0.010 160: 9 2 8 2 10 10 1 9 2 11 17559.7639 0.0077 0.010 0.0047 0.27 161: 9 2 8 2 8 10 1 9 2 9 17559.7639 0.0122 0.010 0.0047 0.22 162: 9 2 8 2 11 10 1 9 2 11 17559.7639 0.0088 0.010 0.0047 0.01 163: 9 2 8 2 11 10 1 9 2 12 17559.7639 0.0003 0.010 0.0047 0.30 164: 9 2 8 2 8 10 1 9 2 8 17559.7639 0.0055 0.010 0.0047 0.01 165: 9 2 8 2 7 10 1 9 2 8 17559.7639 -0.0016 0.010 0.0047 0.20 166: 9 2 8 3 12 10 1 9 3 13 17562.6569 0.0106 0.010 167: 9 2 8 1 9 10 1 9 1 10 17563.2201 -0.0102 0.010 -0.0099 0.50 168: 9 2 8 0 9 10 1 9 0 10 17563.2201 -0.0094 0.010 -0.0099 0.50 169: 9 2 8 3 6 10 1 9 3 7 17563.9170 -0.0106 0.010 ! 170: 7 0 7 3 5 6 1 6 3 4 17679.0537 -0.0124 0.010 171: 7 0 7 3 10 6 1 6 3 9 17679.3543 -0.0086 0.010 172: 7 0 7 2 8 6 1 6 2 7 17681.9163 0.0079 0.010 ! 173: 20 3 17 1 20 21 2 20 1 21 17893.8966 0.0007 0.010 0.0007 0.50 174: 20 3 17 2 20 21 2 20 0 21 17893.8966 0.0007 0.010 0.0007 0.50 175: 20 3 17 3 18 21 2 20 3 19 17895.5959 0.0145 0.010 176: 20 3 17 2 22 21 2 20 2 23 17895.8459 0.0102 0.010 0.0113 0.27 177: 20 3 17 2 21 21 2 20 2 22 17895.8459 0.0129 0.010 0.0113 0.26 178: 20 3 17 1 21 21 2 20 1 22 17895.8459 0.0164 0.010 0.0113 0.26 179: 20 3 17 2 18 21 2 20 2 19 17895.8459 0.0045 0.010 0.0113 0.22 180: 20 3 17 3 22 21 2 20 3 23 17895.9802 -0.0110 0.010 181: 20 3 17 0 20 21 2 20 2 21 17897.7212 -0.0078 0.010 -0.0030 0.50 182: 20 3 17 3 20 21 2 20 3 21 17897.7212 0.0019 0.010 -0.0030 0.50 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 32590.6835(55) 1 20000 B /MHz 3312.43686(46) 2 30000 C /MHz 3052.25566(52) 3 200 DJ /kHz 1.3709(57) 4 1100 DJK /kHz -26.37(17) 5 2000 DK /kHz 521.6(20) 6 40100 delJ /kHz 0.17605(33) 7 41000 delK /kHz 6.967(23) 8 300 HJ /Hz [ 0.00088481] 9 1200 HJK /Hz [ 0.011682] 10 2100 HKJ /Hz [-1.73797] 11 3000 HK /Hz [23.0511] 12 40200 hJ /Hz [ 0.00028422] 13 41100 hJK /Hz [ 0.004058] 14 42000 hK /Hz [ 1.492] 15 400 LJ /mHz [ 0.] 16 1300 LJJK /mHz [-0.0000647] 17 2200 LJK /mHz [ 0.00489] 18 3100 LKKJ /mHz [ 0.1026] 19 4000 LK /mHz [-1.5112] 20 40300 lJ /mHz [ 0.] 21 41200 lJK /mHz [ 0.] 22 42100 lKJ /mHz [ 0.] 23 43000 lK /mHz [ 0.759] 24 5000 PK /mHz [ 0.] 25 110010000 chi.aa*3/2 /MHz -63.349(27) 26 -220010000 chi.aa*3 /MHz -63.349(27) = 1.00000 * 26 110040000 chi(b-c)/4 /MHz -9.4534(35) 27 -220040000 chi(b-c) /MHz -9.4534(35) = 1.00000 * 27 110610000 chi.ab /MHz -50.73(21) 28 -220610000 chi.ab /MHz 50.73(21) = -1.00000 * 28 MICROWAVE AVG = -0.000155 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.008942 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.89422 0.89422 distinct frequency lines in fit: 99 distinct parameters of fit: 11 upper state lower state overall limits of quantum number 1: 1 42 2 41 1 42 limits of quantum number 2: 0 5 0 5 0 5 limits of quantum number 3: 1 38 2 37 1 38 limits of quantum number 4: 0 3 0 3 0 3 limits of quantum number 5: 1 44 2 43 1 44 frequency range: 8403 17897 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 32590.6835(52) 1 20000 B /MHz 3312.43686(44) 2 30000 C /MHz 3052.25566(49) 3 200 DJ /kHz 1.3709(54) 4 1100 DJK /kHz -26.37(16) 5 2000 DK /kHz 521.6(18) 6 40100 delJ /kHz 0.17605(31) 7 41000 delK /kHz 6.968(21) 8 300 HJ /Hz [ 0.00088481] 9 1200 HJK /Hz [ 0.011682] 10 2100 HKJ /Hz [-1.73797] 11 3000 HK /Hz [23.0511] 12 40200 hJ /Hz [ 0.00028422] 13 41100 hJK /Hz [ 0.004058] 14 42000 hK /Hz [ 1.492] 15 400 LJ /mHz [ 0.] 16 1300 LJJK /mHz [-0.0000647] 17 2200 LJK /mHz [ 0.00489] 18 3100 LKKJ /mHz [ 0.1026] 19 4000 LK /mHz [-1.5112] 20 40300 lJ /mHz [ 0.] 21 41200 lJK /mHz [ 0.] 22 42100 lKJ /mHz [ 0.] 23 43000 lK /mHz [ 0.759] 24 5000 PK /mHz [ 0.] 25 110010000 chi.aa*3/2 /MHz -63.350(26) 26 -220010000 chi.aa*3 /MHz -63.350(26) = 1.00000 * 26 110040000 chi(b-c)/4 /MHz -9.4534(33) 27 -220040000 chi(b-c) /MHz -9.4534(33) = 1.00000 * 27 110610000 chi.ab /MHz -50.74(19) 28 -220610000 chi.ab /MHz 50.74(19) = -1.00000 * 28 CORRELATION COEFFICIENTS, C.ij: A B C -DJ -DJK -DK -delJ -delK A 1.0000 B 0.9034 1.0000 C 0.9898 0.9343 1.0000 -DJ 0.6186 0.2371 0.5571 1.0000 -DJK 0.6346 0.2579 0.5745 0.9996 1.0000 -DK -0.6603 -0.2894 -0.6009 -0.9976 -0.9990 1.0000 -delJ 0.6580 0.3018 0.6049 0.9877 0.9908 -0.9909 1.0000 -delK -0.6072 -0.3847 -0.5734 -0.7661 -0.7789 0.7832 -0.8525 1.0000 chi.aa*3/2 -0.1175 -0.1135 -0.1140 -0.0583 -0.0603 0.0637 -0.0625 0.0640 chi(b-c)/4 -0.0554 -0.0119 -0.0425 -0.1160 -0.1156 0.1152 -0.1095 0.0862 chi.ab -0.0920 0.0280 -0.0824 -0.2439 -0.2369 0.2294 -0.2022 -0.0103 chi.aa*3 chi(b-c) chi.ab chi.aa*3/2 1.0000 chi(b-c)/4 0.3614 1.0000 chi.ab -0.0028 0.0173 1.0000 Mean value of |C.ij|, i.ne.j = 0.4063 Mean value of C.ij, i.ne.j = 0.0300 Worst correlations, with absolute value greater than 0.9950: 1100 -DJK <-> 200 -DJ 0.999596 2000 -DK <-> 200 -DJ -0.997638 2000 -DK <-> 1100 -DJK -0.999034 Worst fitted lines (obs-calc/error): 157: -2.1 106: 2.1 29: 2.1 159: 2.0 81: 1.9 65: -1.9 83: -1.8 133: -1.7 156: 1.7 136: -1.6 37: -1.6 175: 1.4 96: 1.4 80: -1.4 67: 1.3 52: 1.3 69: -1.3 170: -1.2 74: 1.2 9: 1.1 176: 1.1 180: -1.1 154: 1.1 2: -1.1 166: 1.1 169: -1.1 54: 1.0 167: -1.0 39: -0.9 104: -0.9 117: 0.9 171: -0.9 8: -0.8 3: -0.8 66: -0.8 128: 0.8 172: 0.8 124: -0.8 70: 0.7 126: 0.7 16: 0.7 89: -0.7 110: -0.7 73: -0.6 41: -0.6 144: 0.6 103: 0.6 25: 0.6 77: -0.5 108: -0.5 157: 1 1 1 3 4 2 0 2 3 5 16543.8194 -0.0212 0.010 106: 14 1 13 2 14 13 2 12 2 13 14057.4428 0.0206 0.010 0.0208 0.50 29: 38 5 34 3 38 39 4 35 3 39 9943.2635 0.0185 0.010 0.0206 0.50 159: 9 2 8 3 11 10 1 9 3 12 17558.6374 0.0203 0.010 81: 42 4 38 1 42 41 5 37 1 41 12089.7155 0.0188 0.010 0.0188 0.50 65: 19 3 17 3 16 20 2 18 3 17 11333.7409 -0.0188 0.010 83: 42 4 38 2 44 41 5 37 2 43 12090.5157 -0.0249 0.010 -0.0176 0.17 133: 13 2 11 3 15 14 1 14 3 16 15464.7281 -0.0172 0.010 156: 1 1 1 0 1 2 0 2 0 2 16538.1521 0.0168 0.010 136: 28 2 27 3 28 27 3 24 3 27 16102.4459 -0.0252 0.010 -0.0165 0.50 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM