1,2-dichlorobenzene, 35Cl1.37Cl2.D3 Tue Mar 24 11:03:23 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 8550.9995 0.0012 0.002 2: 4 2 3 1 3 3 2 2 1 2 8552.7714 -0.0002 0.002 3: 4 2 3 3 4 3 2 2 1 3 8552.8034 -0.0031 0.002 4: 4 2 3 3 4 3 2 2 3 4 8552.8677 -0.0001 0.002 5: 4 2 3 3 6 3 2 2 3 5 8553.3547 0.0005 0.002 6: 4 2 3 2 5 3 2 2 2 4 8555.3115 0.0015 0.002 7: 4 2 3 2 2 3 2 2 2 1 8555.4242 0.0003 0.002 8: 4 2 3 2 6 3 2 2 2 5 8555.4789 0.0008 0.002 9: 4 2 3 1 5 3 2 2 3 4 8555.8837 0.0016 0.002 10: 4 2 3 3 3 3 2 2 3 2 8556.6520 0.0019 0.002 11: 4 2 3 3 7 3 2 2 3 6 8558.0863 0.0015 0.002 12: 4 2 3 3 2 3 2 2 3 2 8558.5691 -0.0008 0.002 13: 4 2 3 3 2 3 2 2 3 1 8558.5918 0.0000 0.002 14: 4 2 3 3 1 3 2 2 3 1 8560.6879 0.0010 0.002 15: 4 2 3 3 1 3 2 2 3 0 8560.7032 -0.0024 0.002 ! 16: 5 1 5 3 5 4 1 4 3 4 8797.2817 0.0011 0.002 17: 5 1 5 3 4 4 1 4 3 3 8797.9168 -0.0032 0.002 18: 5 1 5 1 4 4 1 4 1 3 8798.1213 -0.0016 0.002 19: 5 1 5 2 5 4 1 4 2 4 8798.2567 -0.0005 0.002 20: 5 1 5 2 4 4 1 4 2 3 8798.5563 0.0010 0.002 21: 5 1 5 2 6 4 1 4 2 5 8798.6540 0.0000 0.002 22: 5 0 5 3 4 4 0 4 0 4 8798.7947 0.0001 0.002 23: 5 1 5 2 7 4 1 4 2 6 8798.9233 -0.0002 0.002 24: 5 1 5 1 5 4 1 4 1 4 8799.3675 0.0002 0.002 25: 5 1 5 3 7 4 1 4 3 6 8799.3923 -0.0006 0.002 26: 5 1 5 0 5 4 1 4 0 4 8799.4943 0.0003 0.002 27: 5 1 5 3 8 4 1 4 3 7 8799.8146 0.0006 0.002 28: 5 1 5 3 5 4 1 4 3 5 8802.6811 0.0006 0.002 29: 5 0 5 3 5 4 0 4 3 4 8804.8770 -0.0038 0.002 30: 5 0 5 3 4 4 0 4 3 3 8805.4731 -0.0014 0.002 31: 5 0 5 1 4 4 0 4 1 3 8805.7282 -0.0002 0.002 32: 5 0 5 3 6 4 0 4 3 5 8805.8786 -0.0011 0.002 33: 5 0 5 2 4 4 0 4 2 3 8806.1265 0.0002 0.002 34: 5 0 5 2 6 4 0 4 2 5 8806.2239 0.0009 0.002 35: 5 0 5 1 6 4 0 4 1 5 8806.3635 0.0008 0.002 36: 5 0 5 2 7 4 0 4 2 6 8806.4979 0.0002 0.002 37: 5 0 5 1 5 4 0 4 1 4 8806.8942 0.0006 0.002 38: 5 0 5 3 7 4 0 4 3 6 8806.9882 0.0005 0.002 39: 5 0 5 0 5 4 0 4 0 4 8807.0185 0.0010 0.002 40: 5 0 5 3 8 4 0 4 3 7 8807.3480 0.0009 0.002 ! 41: 4 1 3 3 4 3 1 2 3 3 9004.6117 -0.0036 0.002 42: 4 1 3 3 5 3 1 2 3 4 9004.9231 -0.0019 0.002 43: 4 1 3 2 4 3 1 2 0 3 9005.1514 0.0003 0.002 44: 4 1 3 2 5 3 1 2 2 4 9005.9748 -0.0022 0.002 45: 4 1 3 1 5 3 1 2 1 4 9006.0430 0.0012 0.002 46: 4 1 3 2 6 3 1 2 2 5 9006.1274 0.0001 0.002 47: 4 1 3 3 7 3 1 2 3 6 9006.9824 -0.0026 0.002 ! 48: 4 2 2 3 5 3 2 1 3 4 10120.5452 0.0004 0.002 49: 4 2 2 2 4 3 2 1 2 3 10121.0200 0.0020 0.002 50: 4 2 2 1 3 3 2 1 1 2 10121.8306 0.0020 0.002 51: 4 2 2 3 6 3 2 1 3 5 10122.0992 -0.0025 0.002 52: 4 2 2 3 4 3 2 1 3 3 10122.1503 0.0013 0.002 53: 4 2 2 1 5 3 2 1 2 4 10124.0199 0.0008 0.002 54: 4 2 2 3 7 3 2 1 3 6 10125.9182 -0.0001 0.002 55: 4 2 2 1 4 3 2 1 1 3 10126.7091 -0.0004 0.002 56: 4 2 2 0 4 3 2 1 0 3 10126.9742 -0.0019 0.002 ! 57: 5 2 4 3 6 4 2 3 3 5 10319.8647 0.0004 0.002 58: 5 2 4 2 5 4 2 3 2 4 10320.1662 -0.0004 0.002 59: 5 2 4 3 5 4 2 3 3 4 10320.1935 0.0017 0.002 60: 5 2 4 3 7 4 2 3 3 6 10321.4566 -0.0032 0.002 61: 5 2 4 2 4 4 2 3 2 3 10321.8956 -0.0020 0.002 62: 5 2 4 2 6 4 2 3 2 5 10321.9518 0.0052 0.002 63: 5 2 4 2 3 4 2 3 2 2 10322.0580 -0.0032 0.002 64: 5 2 4 2 7 4 2 3 2 6 10322.1587 0.0026 0.002 65: 5 2 4 3 4 4 2 3 3 3 10322.1870 0.0014 0.002 66: 5 2 4 1 6 4 2 3 1 5 10322.2692 -0.0013 0.002 67: 5 2 4 3 8 4 2 3 3 7 10323.7205 -0.0019 0.002 68: 5 2 4 0 5 4 2 3 0 4 10323.9708 0.0002 0.002 69: 5 2 4 1 5 4 2 3 1 4 10324.0437 -0.0005 0.002 70: 5 2 4 3 2 4 2 3 3 1 10324.2959 0.0005 0.002 ! 71: 6 1 6 3 6 5 1 5 3 5 10400.5014 -0.0021 0.002 72: 6 1 6 1 5 5 1 5 1 4 10400.8687 0.0000 0.002 73: 6 1 6 3 5 5 1 5 3 4 10401.0776 0.0000 0.002 74: 6 1 6 2 6 5 1 5 2 5 10401.1003 -0.0005 0.002 75: 6 1 6 3 7 5 1 5 3 6 10401.1836 -0.0007 0.002 76: 6 1 6 2 5 5 1 5 2 4 10401.2993 0.0001 0.002 77: 6 1 6 2 7 5 1 5 2 6 10401.3703 0.0003 0.002 78: 6 1 6 3 3 5 1 5 3 2 10401.4101 0.0013 0.002 79: 6 1 6 2 4 5 1 5 2 3 10401.4570 -0.0012 0.002 80: 6 1 6 1 7 5 1 5 1 6 10401.5155 0.0003 0.002 81: 6 1 6 2 8 5 1 5 2 7 10401.5905 0.0002 0.002 82: 6 1 6 1 6 5 1 5 1 5 10401.8933 0.0003 0.002 83: 6 0 6 3 4 5 0 5 3 3 10401.9211 -0.0018 0.002 84: 6 1 6 3 8 5 1 5 3 7 10401.9873 0.0011 0.002 85: 6 1 6 3 9 5 1 5 3 8 10402.2513 0.0026 0.002 86: 6 0 6 1 5 5 0 5 1 4 10402.3488 -0.0003 0.002 87: 6 0 6 3 5 5 0 5 3 4 10402.5496 -0.0015 0.002 88: 6 0 6 2 6 5 0 5 2 5 10402.5841 -0.0003 0.002 89: 6 0 6 3 7 5 0 5 3 6 10402.6699 -0.0009 0.002 90: 6 0 6 2 5 5 0 5 2 4 10402.7736 -0.0005 0.002 91: 6 0 6 2 7 5 0 5 2 6 10402.8438 -0.0005 0.002 92: 6 0 6 3 3 5 0 5 3 2 10402.8785 -0.0005 0.002 93: 6 0 6 2 4 5 0 5 2 3 10402.9340 -0.0011 0.002 94: 6 0 6 1 7 5 0 5 1 6 10402.9882 -0.0006 0.002 95: 6 0 6 2 8 5 0 5 2 7 10403.0678 0.0017 0.002 96: 6 0 6 1 6 5 0 5 1 5 10403.3621 -0.0004 0.002 97: 6 0 6 3 8 5 0 5 3 7 10403.4649 0.0017 0.002 98: 6 0 6 3 9 5 0 5 3 8 10403.7183 0.0014 0.002 ! 99: 5 1 4 3 5 4 1 3 3 4 10519.6999 0.0031 0.002 100: 5 1 4 3 6 4 1 3 3 5 10519.8773 0.0012 0.002 101: 5 1 4 2 5 4 1 3 2 4 10519.9965 0.0021 0.002 102: 5 1 4 1 4 4 1 3 1 3 10520.1141 0.0034 0.002 103: 5 1 4 3 7 4 1 3 3 6 10520.8659 0.0007 0.002 104: 5 1 4 2 3 4 1 3 2 2 10520.9289 -0.0009 0.002 105: 5 1 4 0 5 4 1 3 0 4 10521.8725 -0.0024 0.002 ! 106: 6 2 5 2 6 5 2 4 2 5 11983.7548 -0.0020 0.002 107: 6 2 5 1 5 5 2 4 1 4 11983.8845 -0.0010 0.002 108: 6 2 5 3 8 5 2 4 3 7 11984.7800 -0.0013 0.002 109: 6 2 5 2 7 5 2 4 2 6 11984.8445 -0.0009 0.002 110: 6 2 5 3 5 5 2 4 3 4 11984.9827 -0.0009 0.002 111: 6 2 5 2 8 5 2 4 2 7 11985.0511 -0.0006 0.002 112: 6 2 5 1 7 5 2 4 1 6 11985.1041 -0.0012 0.002 113: 6 2 5 3 9 5 2 4 3 8 11986.1478 0.0005 0.002 114: 6 2 5 1 6 5 2 4 1 5 11986.2170 -0.0001 0.002 ! 115: 7 1 7 3 5 6 1 6 3 4 12001.2638 0.0017 0.002 116: 7 1 7 3 7 6 1 6 3 6 12001.3252 -0.0018 0.002 117: 7 1 7 1 6 6 1 6 1 5 12001.4784 0.0015 0.002 118: 7 0 7 3 5 6 0 6 3 4 12001.5278 -0.0014 0.002 119: 7 0 7 3 7 6 0 6 3 6 12001.5950 -0.0007 0.002 120: 7 1 7 2 7 6 1 6 2 6 12001.7188 0.0009 0.002 121: 7 0 7 1 6 6 0 6 1 5 12001.7446 -0.0008 0.002 122: 7 1 7 3 6 6 1 6 3 5 12001.7968 -0.0027 0.002 123: 7 1 7 3 8 6 1 6 3 7 12001.8283 -0.0010 0.002 124: 7 1 7 2 6 6 1 6 2 5 12001.8774 -0.0026 0.002 125: 7 1 7 2 8 6 1 6 2 7 12001.9202 0.0014 0.002 126: 7 0 7 2 7 6 0 6 2 6 12001.9826 -0.0045 0.002 127: 7 1 7 1 8 6 1 6 1 7 12002.0492 0.0027 0.002 128: 7 0 7 3 8 6 0 6 3 7 12002.1020 0.0028 0.002 129: 7 0 7 2 6 6 0 6 2 5 12002.1464 -0.0016 0.002 130: 7 0 7 2 8 6 0 6 2 7 12002.1878 0.0013 0.002 131: 7 0 7 1 8 6 0 6 1 7 12002.3117 -0.0023 0.002 132: 7 0 7 2 9 6 0 6 2 8 12002.3709 0.0024 0.002 133: 7 1 7 1 7 6 1 6 0 6 12002.3945 0.0012 0.002 134: 7 1 7 3 9 6 1 6 3 8 12002.4214 0.0000 0.002 135: 7 1 7 3 10 6 1 6 3 9 12002.6087 0.0019 0.002 136: 7 0 7 1 7 6 0 6 0 6 12002.6618 0.0017 0.002 137: 7 0 7 3 9 6 0 6 3 8 12002.6911 0.0017 0.002 138: 7 0 7 3 10 6 0 6 3 9 12002.8756 0.0021 0.002 ! 139: 6 1 5 3 6 5 1 4 3 5 12043.8945 0.0019 0.002 140: 6 1 5 3 7 5 1 4 3 6 12044.0038 0.0018 0.002 141: 6 1 5 2 6 5 1 4 2 5 12044.0771 -0.0016 0.002 142: 6 1 5 1 5 5 1 4 1 4 12044.1425 0.0026 0.002 143: 6 1 5 2 8 5 1 4 2 7 12045.1374 0.0031 0.002 144: 6 1 5 1 7 5 1 4 1 6 12045.1695 0.0004 0.002 145: 6 1 5 3 9 5 1 4 3 8 12046.0421 0.0023 0.002 ! 146: 5 2 3 3 6 4 2 2 3 5 12256.7667 0.0014 0.002 147: 5 2 3 3 5 4 2 2 3 4 12256.9523 0.0046 0.002 148: 5 2 3 1 4 4 2 2 1 3 12257.1553 -0.0045 0.002 149: 5 2 3 3 7 4 2 2 3 6 12257.6956 -0.0018 0.002 150: 5 2 3 2 7 4 2 2 2 6 12257.9718 0.0010 0.002 151: 5 2 3 2 6 4 2 2 2 5 12258.0436 0.0019 0.002 152: 5 2 3 3 8 4 2 2 3 7 12258.8639 -0.0007 0.002 153: 5 2 3 2 5 4 2 2 1 4 12258.9594 -0.0029 0.002 154: 5 2 3 1 5 4 2 2 0 4 12259.0864 -0.0004 0.002 ! 155: 7 2 6 3 8 6 2 5 3 7 13601.5390 -0.0003 0.002 156: 7 2 6 2 7 6 2 5 2 6 13601.5782 -0.0026 0.002 ! 157: 8 1 8 3 8 7 1 7 3 7 13601.6565 -0.0012 0.002 158: 8 0 8 3 8 7 0 7 3 7 13601.7063 0.0019 0.002 159: 8 0 8 1 7 7 0 7 1 6 13601.7502 -0.0023 0.002 160: 8 1 8 2 8 7 1 7 2 7 13601.9267 -0.0007 0.002 161: 8 0 8 2 8 7 0 7 2 7 13601.9751 0.0009 0.002 162: 8 0 8 2 6 7 0 7 2 5 13602.1671 0.0003 0.002 163: 8 1 8 2 10 7 1 7 2 9 13602.2384 0.0011 0.002 164: 8 0 8 2 10 7 0 7 2 9 13602.2827 -0.0009 0.002 165: 8 1 8 3 11 7 1 7 3 10 13602.6389 0.0018 0.002 166: 8 0 8 3 11 7 0 7 3 10 13602.6807 -0.0026 0.002 ! 167: 7 1 6 3 8 6 1 5 3 7 13616.3401 -0.0002 0.002 168: 7 1 6 2 7 6 1 5 2 6 13616.3832 0.0017 0.002 169: 7 1 6 3 9 6 1 5 3 8 13617.2115 0.0010 0.002 170: 7 1 6 2 9 6 1 5 2 8 13617.2994 -0.0006 0.002 171: 7 1 6 1 8 6 1 5 1 7 13617.3401 -0.0001 0.002 172: 7 1 6 3 4 6 1 5 3 3 13617.9735 0.0001 0.002 173: 7 1 6 1 7 6 1 5 1 6 13618.0715 -0.0024 0.002 174: 7 1 6 3 10 6 1 5 3 9 13618.1205 0.0024 0.002 ! 175: 6 2 4 3 8 5 2 3 3 7 13922.8243 0.0006 0.002 176: 6 2 4 3 9 5 2 3 3 8 13923.4488 -0.0019 0.002 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 1852.31211(60) 1 20000 B /MHz 1408.83223(17) 2 30000 C /MHz 800.095549(74) 3 200 DJ /kHz 0.0407(19) 4 1100 DJK /kHz [-0.02859] 5 2000 DK /kHz [ 0.4059] 6 40100 dJ /kHz 0.0163(12) 7 41000 dK /kHz [ 0.01562] 8 110010000 chi.aa*3/2 /MHz -59.137(15) 9 110040000 chi(b-c)/4 /MHz -6.5264(31) 10 110610000 chi.ab /MHz [-52.26] 11 220010000 chi.aa*3/2 /MHz -50.619(12) 12 220040000 chi(b-c)/4 /MHz -4.4760(24) 13 220610000 chi.ab /MHz [40.2] 14 MICROWAVE AVG = -0.000003 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.001727 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.86343 0.86343 distinct frequency lines in fit: 176 distinct parameters of fit: 9 upper state lower state overall limits of quantum number 1: 4 8 3 7 3 8 limits of quantum number 2: 0 2 0 2 0 2 limits of quantum number 3: 2 8 1 7 1 8 limits of quantum number 4: 0 3 0 3 0 3 limits of quantum number 5: 1 11 0 10 0 11 frequency range: 8550 13923 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 1852.31211(53) 1 20000 B /MHz 1408.83224(15) 2 30000 C /MHz 800.095549(66) 3 200 DJ /kHz 0.0408(17) 4 1100 DJK /kHz [-0.02859] 5 2000 DK /kHz [ 0.4059] 6 40100 dJ /kHz 0.0163(11) 7 41000 dK /kHz [ 0.01562] 8 110010000 chi.aa*3/2 /MHz -59.138(13) 9 110040000 chi(b-c)/4 /MHz -6.5264(27) 10 110610000 chi.ab /MHz [-52.26] 11 220010000 chi.aa*3/2 /MHz -50.619(10) 12 220040000 chi(b-c)/4 /MHz -4.4761(22) 13 220610000 chi.ab /MHz [40.2] 14 CORRELATION COEFFICIENTS, C.ij: A B C -DJ -dJ chi.aa*3 chi(b-c) chi.aa*3 A 1.0000 B 0.5742 1.0000 C -0.5443 -0.4664 1.0000 -DJ -0.8072 -0.7964 0.2426 1.0000 -dJ -0.8555 -0.8453 0.5221 0.9484 1.0000 chi.aa*3/2 0.0454 0.1007 0.0213 -0.0934 -0.0746 1.0000 chi(b-c)/4 -0.1857 -0.1644 0.0600 0.1787 0.1735 -0.4200 1.0000 chi.aa*3/2 0.1443 -0.0620 -0.0555 -0.0351 -0.0412 -0.1232 -0.0460 1.0000 chi(b-c)/4 -0.1961 0.0642 0.0046 0.0817 0.0693 0.0939 0.1607 -0.6101 chi(b-c) chi(b-c)/4 1.0000 Mean value of |C.ij|, i.ne.j = 0.2752 Mean value of C.ij, i.ne.j = -0.0816 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 62: 2.6 147: 2.3 148: -2.2 126: -2.2 29: -1.9 41: -1.8 102: 1.7 60: -1.6 63: -1.6 17: -1.6 99: 1.5 143: 1.5 3: -1.5 153: -1.4 128: 1.4 127: 1.4 122: -1.4 156: -1.3 47: -1.3 85: 1.3 166: -1.3 124: -1.3 64: 1.3 142: 1.3 51: -1.2 15: -1.2 105: -1.2 174: 1.2 173: -1.2 132: 1.2 131: -1.1 145: 1.1 159: -1.1 44: -1.1 138: 1.0 71: -1.0 101: 1.0 50: 1.0 49: 1.0 61: -1.0 106: -1.0 176: -0.9 56: -0.9 67: -0.9 151: 0.9 139: 0.9 42: -0.9 158: 0.9 10: 0.9 135: 0.9 62: 5 2 4 2 6 4 2 3 2 5 10321.9518 0.0052 0.002 147: 5 2 3 3 5 4 2 2 3 4 12256.9523 0.0046 0.002 148: 5 2 3 1 4 4 2 2 1 3 12257.1553 -0.0045 0.002 126: 7 0 7 2 7 6 0 6 2 6 12001.9826 -0.0045 0.002 29: 5 0 5 3 5 4 0 4 3 4 8804.8770 -0.0038 0.002 41: 4 1 3 3 4 3 1 2 3 3 9004.6117 -0.0036 0.002 102: 5 1 4 1 4 4 1 3 1 3 10520.1141 0.0034 0.002 60: 5 2 4 3 7 4 2 3 3 6 10321.4566 -0.0032 0.002 63: 5 2 4 2 3 4 2 3 2 2 10322.0580 -0.0032 0.002 17: 5 1 5 3 4 4 1 4 3 3 8797.9168 -0.0032 0.002 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM