Table S1. The results of fit and the data files for the SPFIT program for the A-sublevel in the ground state of pyruvonitrile. \/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/ /\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\ CUT HERE \/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\ \/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/ pyruvonitrile: ground state, A-sublevel Wed Nov 04 10:52:21 2009 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! ! IFPAN FTMW ! ! aR-type ! 1: 1 0 1 0 1 0 0 0 0 1 7159.3227 0.0014 0.002 scan9 2: 1 0 1 0 2 0 0 0 0 1 7160.6916 -0.0010 0.002 3: 1 0 1 0 0 0 0 0 0 1 7162.7498 -0.0001 0.002 ! 4: 2 1 2 0 2 1 1 1 0 1 13164.7963 -0.0014 0.002 scan2 5: 2 1 2 0 2 1 1 1 0 2 13165.3429 0.0002 0.002 6: 2 1 2 0 3 1 1 1 0 2 13166.2309 0.0028 0.002 7: 2 1 2 0 1 1 1 1 0 2 13166.7219 0.0016 0.002 8: 2 1 2 0 1 1 1 1 0 0 13167.5361 -0.0017 0.002 ! 9: 2 0 2 0 2 1 0 1 0 2 14168.9588 0.0000 0.002 scan1 10: 2 0 2 0 1 1 0 1 0 0 14169.2016 -0.0006 0.002 11: 2 0 2 0 2 1 0 1 0 1 14170.3314 0.0011 0.002 12: 2 0 2 0 3 1 0 1 0 2 14170.4391 0.0013 0.002 13: 2 0 2 0 1 1 0 1 0 2 14171.2573 -0.0022 0.002 prvcn.078 14: 2 0 2 0 1 1 0 1 0 1 14172.6303 -0.0006 0.002 ! 15: 2 1 1 0 2 1 1 0 0 1 15474.5923 0.0037 0.002 scan6 16: 2 1 1 0 2 1 1 0 0 2 15475.4150 0.0001 0.002 17: 2 1 1 0 1 1 1 0 0 1 15475.4950 -0.0022 0.002 18: 2 1 1 0 3 1 1 0 0 2 15476.0008 0.0020 0.002 19: 2 1 1 0 1 1 1 0 0 0 15477.5655 0.0024 0.002 ! 20: 3 1 3 0 3 2 1 2 0 3 19659.0430 -0.0007 0.002 21: 3 1 3 0 4 2 1 2 0 3 19660.3457 -0.0001 0.002 22: 3 1 3 0 2 2 1 2 0 2 19661.6865 -0.0006 0.002 ! ! bR-type ! 23: 1 1 1 0 0 0 0 0 0 1 13187.7029 -0.0046 0.002 scan3 24: 1 1 1 0 2 0 0 0 0 1 13188.5260 0.0009 0.002 25: 1 1 1 0 1 0 0 0 0 1 13189.0706 0.0005 0.002 ! 26: 2 1 2 0 1 1 0 1 0 0 19192.4956 0.0002 0.002 27: 2 1 2 0 2 1 0 1 0 2 19193.1748 -0.0003 0.002 28: 2 1 2 0 3 1 0 1 0 2 19194.0625 0.0019 0.002 29: 2 1 2 0 2 1 0 1 0 1 19194.5469 0.0003 0.002 30: 2 1 2 0 1 1 0 1 0 1 19195.9238 -0.0003 0.002 ! 31: 2 0 2 0 2 1 1 1 0 1 8140.5806 -0.0008 0.002 scan4 32: 2 0 2 0 2 1 1 1 0 2 8141.1281 0.0016 0.002 33: 2 0 2 0 3 1 1 1 0 2 8142.6079 0.0026 0.002 34: 2 0 2 0 1 1 1 1 0 1 8142.8795 -0.0026 0.002 35: 2 0 2 0 1 1 1 1 0 0 8144.2435 -0.0010 0.002 ! 36: 3 0 3 0 3 2 1 2 0 3 15870.1607 0.0008 0.002 scan7 37: 3 0 3 0 3 2 1 2 0 2 15871.0493 0.0039 0.002 38: 3 0 3 0 2 2 1 2 0 2 15873.1387 0.0030 0.002 ! ! bQ-type ! 39: 1 1 0 0 1 1 0 1 0 0 7181.4574 0.0007 0.002 scan10 40: 1 1 0 0 2 1 0 1 0 2 7182.6889 0.0012 0.002 41: 1 1 0 0 0 1 0 1 0 1 7182.8192 -0.0002 0.002 42: 1 1 0 0 1 1 0 1 0 2 7183.5159 0.0020 0.002 43: 1 1 0 0 2 1 0 1 0 1 7184.0601 0.0010 0.002 44: 1 1 0 0 1 1 0 1 0 1 7184.8849 -0.0003 0.002 ! 45: 2 1 1 0 2 2 0 2 0 1 8486.8432 0.0002 0.002 scan5 46: 2 1 1 0 2 2 0 2 0 3 8487.6600 -0.0047 0.002 47: 2 1 1 0 1 2 0 2 0 1 8487.7503 -0.0012 0.002 48: 2 1 1 0 3 2 0 2 0 3 8488.2493 0.0006 0.002 49: 2 1 1 0 2 2 0 2 0 2 8489.1425 -0.0011 0.002 50: 2 1 1 0 3 2 0 2 0 2 8489.7275 0.0000 0.002 51: 2 1 1 0 1 2 0 2 0 2 8490.0503 -0.0019 0.002 ! 52: 3 1 2 0 3 3 0 3 0 2 10703.9852 0.0052 0.002 scan8 53: 3 1 2 0 3 3 0 3 0 4 10704.5205 -0.0014 0.002 54: 3 1 2 0 3 3 0 3 0 3 10706.0718 0.0016 0.002 55/ 3 1 2 0 4 3 0 3 0 3 10707.0662 0.0062 0.002 56: 3 1 2 0 2 3 0 3 0 3 10707.4077 0.0011 0.002 ! 57: 4 1 3 0 3 4 0 4 0 3 14047.3239 0.0004 0.002 58: 4 1 3 0 5 4 0 4 0 5 14047.4316 -0.0028 0.002 59: 4 1 3 0 4 4 0 4 0 4 14047.8600 -0.0036 0.002 ! 60: 2 2 0 0 1 2 1 1 0 1 18233.2959 0.0043 0.002 61: 2 2 0 0 1 2 1 1 0 2 18234.2012 0.0009 0.002 62: 2 2 0 0 3 2 1 1 0 3 18234.4385 0.0006 0.002 63: 2 2 0 0 2 2 1 1 0 2 18236.5047 0.0039 0.002 ! 64: 3 2 1 0 4 3 1 2 0 4 17189.0829 -0.0020 0.002 scan15 65: 3 2 1 0 3 3 1 2 0 3 17190.1019 0.0027 0.002 ! 66/ 4 2 2 0 3 4 1 3 0 3 16474.7187 0.0068 0.002 scan14 67: 4 2 2 0 5 4 1 3 0 5 16474.8664 0.0023 0.002 68: 4 2 2 0 4 4 1 3 0 4 16475.4565 0.0005 0.002 ! ! F.Scappini and H.Dreizler, Z.Naturforsch. 31a,840-846 (1976) ! 69: 3 2 1 0 2 2 2 0 0 1 22067.9200 -0.134 UNFITTD 22068.0541 70: 3 2 1 0 3 2 2 0 0 2 22065.8300 0.0434 0.030 71: 3 2 1 0 4 2 2 0 0 3 22067.2500 0.0090 0.030 ! 72: 3 1 3 0 4 2 0 2 0 3 24683.9900 0.0213 0.030 -0.0510 0.59 73: 3 1 3 0 3 2 0 2 0 2 24683.9900 -0.1554 0.030 -0.0510 0.41 ! 74: 3 0 3 0 2 2 0 2 0 1 20895.2600 0.2088 0.030 0.0118 0.22 75: 3 0 3 0 3 2 0 2 0 2 20895.2600 -0.0015 0.030 0.0118 0.32 76: 3 0 3 0 4 2 0 2 0 3 20895.2600 -0.0709 0.030 0.0118 0.46 ! 77: 3 2 2 0 3 2 2 1 0 2 21479.7000 -0.0358 0.030 78: 3 2 2 0 4 2 2 1 0 3 21481.2700 0.0644 0.030 ! 79: 3 3 0 0 2 3 2 1 0 2 32391.3800 0.552 UNFITTD 32390.8277 80: 3 3 0 0 4 3 2 1 0 4 32391.3800 -0.107 UNFITTD 32391.4871 81: 3 3 0 0 3 3 2 1 0 3 32393.3400 -0.0306 0.030 ! 82: 3 3 1 0 2 3 2 2 0 2 33115.4800 0.4513 0.030 0.0143 0.35 83: 3 3 1 0 4 3 2 2 0 4 33115.4800 -0.2167 0.030 0.0143 0.65 84/ 3 3 1 0 3 3 2 2 0 3 33117.5000 -0.1047 0.030 ! 85: 4 3 1 0 4 3 3 0 0 3 28980.3000 0.0031 0.030 86: 4 3 1 0 5 3 3 0 0 4 28981.6800 0.0290 0.030 ! 87: 4 3 2 0 4 3 3 1 0 3 28906.7600 -0.0131 0.030 88: 4 3 2 0 5 3 3 1 0 4 28908.1600 0.0319 0.030 ! 89: 4 1 3 0 3 3 1 2 0 2 30610.3400 0.0341 0.030 0.0423 0.77 90: 4 1 3 0 4 3 1 2 0 3 30610.3400 0.1729 0.030 0.0423 0.10 91: 4 1 3 0 5 3 1 2 0 4 30610.3400 -0.0106 0.030 0.0423 0.13 ! 92: 4 0 4 0 3 3 0 3 0 2 27268.3300 0.0314 0.030 -0.0481 0.25 93: 4 0 4 0 4 3 0 3 0 3 27268.3300 -0.0436 0.030 -0.0481 0.33 94: 4 0 4 0 5 3 0 3 0 4 27268.3300 -0.0978 0.030 -0.0481 0.42 ! 95: 4 1 4 0 3 3 0 3 0 2 29852.8800 -0.004 UNFITTD 29852.8844 96: 4 1 4 0 4 3 0 3 0 3 29852.8800 -0.219 UNFITTD 29853.0990 97: 4 1 4 0 5 3 0 3 0 4 29852.8800 -0.162 UNFITTD 29853.0427 ! 98: 4 0 4 0 3 3 1 3 0 2 23479.6600 -0.0870 0.030 -0.0215 0.25 99: 4 0 4 0 4 3 1 3 0 3 23479.6600 0.1702 0.030 -0.0215 0.33 100: 4 0 4 0 5 3 1 3 0 4 23479.6600 -0.1301 0.030 -0.0215 0.43 ! 101: 4 3 1 0 3 4 2 2 0 3 31476.9400 0.2238 0.030 0.0437 0.38 102: 4 3 1 0 5 4 2 2 0 5 31476.9400 -0.0681 0.030 0.0437 0.62 103: 4 3 1 0 4 4 2 2 0 4 31478.1900 0.0464 0.030 ! 104: 4 3 2 0 3 4 2 3 0 3 33500.0300 0.2210 0.030 0.0341 0.38 105: 4 3 2 0 5 4 2 3 0 5 33500.0300 -0.0820 0.030 0.0341 0.62 106: 4 3 2 0 4 4 2 3 0 4 33501.2100 -0.0807 0.030 ! 107: 5 1 4 0 4 4 2 3 0 3 23529.3600 -0.0585 0.030 0.0014 0.40 108: 5 1 4 0 6 4 2 3 0 5 23529.3600 0.0407 0.030 0.0014 0.60 109: 5 1 4 0 5 4 2 3 0 4 23528.6600 -0.0072 0.030 ! 110: 6 1 5 0 5 6 0 6 0 5 24211.4400 0.0279 0.030 -0.0057 0.42 111: 6 1 5 0 7 6 0 6 0 7 24211.4400 -0.0302 0.030 -0.0057 0.58 112: 6 1 5 0 6 6 0 6 0 6 24211.7400 -0.0749 0.030 ! 113: 7 2 5 0 6 7 1 6 0 6 19939.5300 0.1223 0.030 0.0232 0.29 114: 7 2 5 0 7 7 1 6 0 7 19939.5300 -0.1404 0.030 0.0232 0.33 115: 7 2 5 0 8 7 1 6 0 8 19939.5300 0.0892 0.030 0.0232 0.38 ! 116: 7 1 6 0 6 7 0 7 0 6 30545.4100 0.0129 0.030 -0.0140 0.43 117: 7 1 6 0 8 7 0 7 0 8 30545.4100 -0.0345 0.030 -0.0140 0.57 118: 7 1 6 0 7 7 0 7 0 7 30545.7200 -0.0535 0.030 ! 119: 8 2 6 0 7 8 1 7 0 7 23716.8200 0.0843 0.030 -0.0002 0.29 120: 8 2 6 0 8 8 1 7 0 8 23716.8200 -0.1427 0.030 -0.0002 0.33 121: 8 2 6 0 9 8 1 7 0 9 23716.8200 0.0589 0.030 -0.0002 0.37 ! 122: 8 3 5 0 7 8 2 6 0 7 25142.5500 0.0716 0.030 -0.0400 0.29 123: 8 3 5 0 8 8 2 6 0 8 25142.5500 -0.2279 0.030 -0.0400 0.33 124: 8 3 5 0 9 8 2 6 0 9 25142.5500 0.0381 0.030 -0.0400 0.38 ! 125: 9 3 6 0 8 9 2 7 0 8 24901.7400 0.1033 0.030 0.0203 0.30 126: 9 3 6 0 9 9 2 7 0 9 24901.7400 -0.1221 0.030 0.0203 0.33 127: 9 3 6 0 10 9 2 7 0 10 24901.7400 0.0806 0.030 0.0203 0.37 ! 128: 9 2 7 0 8 9 1 8 0 8 28867.2200 0.0158 0.030 -0.0617 0.30 129: 9 2 7 0 9 9 1 8 0 9 28867.2200 -0.1950 0.030 -0.0617 0.33 130: 9 2 7 0 10 9 1 8 0 10 28867.2200 -0.0053 0.030 -0.0617 0.37 ! 131: 10 3 7 0 9 10 2 8 0 9 26012.1600 0.0775 0.030 0.0121 0.30 132: 10 3 7 0 10 10 2 8 0 10 26012.1600 -0.1015 0.030 0.0121 0.33 133: 10 3 7 0 11 10 2 8 0 11 26012.1600 0.0611 0.030 0.0121 0.37 ! 134: 11 3 8 0 10 11 2 9 0 10 28686.4300 0.0433 0.030 -0.0115 0.30 135: 11 3 8 0 11 11 2 9 0 11 28686.4300 -0.1081 0.030 -0.0115 0.33 136: 11 3 8 0 12 11 2 9 0 12 28686.4300 0.0306 0.030 -0.0115 0.36 ! 137: 12 3 9 0 11 12 2 10 0 11 32987.3700 0.0508 0.030 0.0015 0.31 138: 12 3 9 0 12 12 2 10 0 12 32987.3700 -0.0861 0.030 0.0015 0.33 139: 12 3 9 0 13 12 2 10 0 13 32987.3700 0.0402 0.030 0.0015 0.36 ! ! IFPAN MMW ! ! A symmetry, aR-types Ka>0 ! 140: 25 1 24 1 25 24 1 23 1 24 158770.2551 -0.0375 0.050 0.0011 0.50 141: 25 2 24 1 25 24 2 23 1 24 158770.2551 0.0397 0.050 0.0011 0.50 142: 29 1 28 1 29 28 1 27 1 28 182775.7474 -0.0015 0.050 0.0004 0.50 143: 29 2 28 1 29 28 2 27 1 28 182775.7474 0.0023 0.050 0.0004 0.50 144: 30 1 29 1 30 29 1 28 1 29 188776.9405 0.0077 0.050 0.0087 0.50 145: 30 2 29 1 30 29 2 28 1 29 188776.9405 0.0096 0.050 0.0087 0.50 146: 31 1 30 1 31 30 1 29 1 30 194778.0103 0.0203 0.050 0.0207 0.50 147: 31 2 30 1 31 30 2 29 1 30 194778.0103 0.0211 0.050 0.0207 0.50 148: 34 1 33 1 34 33 1 32 1 33 212780.2286 0.0169 0.050 149: 36 1 35 1 36 35 1 34 1 35 224780.7269 -0.0169 0.050 150: 45 1 44 1 45 44 1 43 1 44 278771.0097 0.0016 0.050 151: 48 1 47 1 48 47 1 46 1 47 296762.5469 -0.0024 0.050 152: 51 1 50 1 51 50 1 49 1 50 314751.1223 0.0158 0.050 153: 52 1 51 1 52 51 1 50 1 51 320746.5827 -0.0100 0.050 ! 154: 24 2 22 1 24 23 3 21 1 23 158578.7670 -0.0457 0.050 155: 24 3 22 1 24 23 3 21 1 23 158584.0357 -0.0018 0.050 156: 24 2 22 1 24 23 2 21 1 23 158589.1312 -0.0002 0.050 157: 24 3 22 1 24 23 2 21 1 23 158594.3319 -0.0243 0.050 158: 28 3 26 1 28 27 3 25 1 27 182568.4370 0.1890 0.050 0.0246 0.50 159: 28 2 26 1 28 27 2 25 1 27 182568.4370 -0.1398 0.050 0.0246 0.50 160: 29 3 27 1 29 28 3 26 1 28 188565.5360 0.1069 0.050 0.0257 0.50 161: 29 2 27 1 29 28 2 26 1 28 188565.5360 -0.0556 0.050 0.0257 0.50 162: 30 3 28 1 30 29 3 27 1 29 194562.9834 0.0609 0.050 0.0210 0.50 163: 30 2 28 1 30 29 2 27 1 29 194562.9834 -0.0189 0.050 0.0210 0.50 164: 33 3 31 1 33 32 3 30 1 32 212556.5479 0.0182 0.050 0.0137 0.50 165: 33 2 31 1 33 32 2 30 1 32 212556.5479 0.0091 0.050 0.0137 0.50 166: 34 2 33 1 34 33 2 32 1 33 212780.2286 0.0170 0.050 167: 35 2 33 1 35 34 2 32 1 34 224552.5761 -0.0294 0.050 -0.0284 0.50 168: 35 3 33 1 35 34 3 32 1 34 224552.5761 -0.0273 0.050 -0.0284 0.50 169: 44 2 42 1 44 43 2 41 1 43 278529.6367 0.0003 0.050 170: 47 2 45 1 47 46 2 44 1 46 296518.1222 -0.0274 0.050 171: 50 2 48 1 50 49 2 47 1 49 314504.0629 0.0090 0.050 172: 51 2 49 1 51 50 2 48 1 50 320498.7359 0.0151 0.050 ! 173: 23 3 20 1 23 22 3 19 1 22 158647.6298 0.0134 0.050 174: 28 3 25 1 28 27 4 24 1 27 188421.8809 0.0204 0.050 175: 28 3 25 1 28 27 3 24 1 27 188437.6725 0.0036 0.050 176: 29 3 26 1 29 28 4 25 1 28 194412.6046 -0.0267 0.050 177: 29 3 26 1 29 28 3 25 1 28 194420.8152 -0.0102 0.050 178: 34 3 31 1 34 33 3 30 1 33 224366.8375 -0.1373 0.050 179: 43 3 40 1 43 42 3 39 1 42 278308.4380 -0.0363 0.050 180: 46 3 43 1 46 45 3 42 1 45 296289.9274 0.0078 0.050 181: 49 3 46 1 49 48 3 45 1 48 314269.9639 -0.0198 0.050 182: 50 3 47 1 50 49 3 46 1 49 320262.8989 -0.0152 0.050 ! 183: 23 4 20 1 23 22 4 19 1 22 158486.3405 0.0140 0.050 184: 24 4 21 1 24 23 4 20 1 23 164483.2684 -0.0321 0.050 185: 26 4 22 1 26 25 4 21 1 25 182760.7705 0.0226 0.050 186: 27 4 23 1 27 26 4 22 1 26 188616.7169 -0.0042 0.050 187: 28 4 25 1 28 27 4 24 1 27 188430.0629 0.0083 0.050 188: 28 4 24 1 28 27 4 23 1 27 194515.0856 0.0380 0.050 189: 28 4 25 1 28 27 3 24 1 27 188445.8801 0.0171 0.050 190: 29 4 26 1 29 28 4 25 1 28 194416.8489 0.0066 0.050 191: 29 4 26 1 29 28 3 25 1 28 194425.0170 -0.0193 0.050 192: 31 4 27 1 31 30 4 26 1 30 212343.6025 -0.0061 0.050 193: 33 4 29 1 33 32 4 28 1 32 224280.5475 -0.0139 0.050 194: 34 4 31 1 34 33 4 30 1 33 224366.8375 0.0000 0.050 195: 42 4 38 1 42 41 4 37 1 41 278129.5575 -0.0263 0.050 196: 45 4 41 1 45 44 4 40 1 44 296095.4034 0.0235 0.050 197: 48 4 44 1 48 47 4 43 1 47 314063.1515 0.0043 0.050 198: 49 4 45 1 49 48 4 44 1 48 320052.5045 -0.0327 0.050 ! 199: 21 5 16 1 21 20 5 15 1 20 161855.5468 0.0385 0.050 200: 23 5 19 1 23 22 5 18 1 22 164204.1343 0.0104 0.050 201: 27 5 23 1 27 26 5 22 1 26 188420.2967 0.0093 0.050 202: 28 5 24 1 28 27 5 23 1 27 194403.0820 0.0134 0.050 203: 29 5 24 1 29 28 5 23 1 28 207037.1347 -0.0560 0.050 204: 30 5 25 1 30 29 5 24 1 29 212788.6825 -0.0487 0.050 205: 31 5 27 1 31 30 5 26 1 30 212324.7243 0.0208 0.050 206: 32 5 27 1 32 31 5 26 1 31 224480.7472 -0.0044 0.050 207: 33 5 29 1 33 32 5 28 1 32 224275.1104 -0.0175 0.050 208: 42 5 38 1 42 41 5 37 1 41 278129.5575 -0.0129 0.050 209: 45 5 41 1 45 44 5 40 1 44 296095.4034 0.0251 0.050 ! 210: 44 5 39 1 44 43 5 38 1 43 295964.3199 -0.0503 0.050 -0.0129 0.50 211: 44 6 39 1 44 43 6 38 1 43 295964.3199 0.0245 0.050 -0.0129 0.50 212: 47 5 42 1 47 46 5 41 1 46 313906.6998 -0.0159 0.050 -0.0110 0.50 213: 47 6 42 1 47 46 6 41 1 46 313906.6998 -0.0061 0.050 -0.0110 0.50 214: 48 5 43 1 48 47 5 42 1 47 319889.0215 -0.0039 0.050 -0.0015 0.50 215: 48 6 43 1 48 47 6 42 1 47 319889.0215 0.0009 0.050 -0.0015 0.50 ! 216: 43 6 37 1 43 42 6 36 1 42 295952.6793 0.0185 0.050 217: 43 7 37 1 43 42 7 36 1 42 295950.1546 -0.0863 0.050 218: 43 6 37 1 43 42 7 36 1 42 295947.4694 -0.0359 0.050 219: 43 7 37 1 43 42 6 36 1 42 295955.4008 0.0044 0.050 220: 45 7 38 1 45 44 7 37 1 44 313945.2387 -0.0869 0.050 221: 46 8 39 1 46 45 8 38 1 45 319875.9709 -0.0429 0.050 222: 46 7 39 1 46 45 7 38 1 45 319881.2602 0.0060 0.050 223: 46 7 39 1 46 45 8 38 1 45 319869.8463 0.0005 0.050 224: 46 8 39 1 46 45 7 38 1 45 319887.3830 -0.0392 0.050 225: 47 6 41 1 47 46 6 40 1 46 319808.7032 -0.1194 0.050 -0.0247 0.50 226: 47 7 41 1 47 46 7 40 1 46 319808.7032 0.0700 0.050 -0.0247 0.50 ! 227: 21 6 15 1 21 20 6 14 1 20 161711.5577 0.0558 0.050 228: 22 6 17 1 22 21 6 16 1 21 161801.8435 0.0072 0.050 229: 25 6 19 1 25 24 6 18 1 24 192888.7329 -0.0108 0.050 230: 26 6 21 1 26 25 6 20 1 25 188036.4537 0.0080 0.050 231: 27 6 22 1 27 26 6 21 1 26 194238.0990 -0.0038 0.050 232: 29 6 23 1 29 28 6 22 1 28 215519.3080 0.0051 0.050 233: 30 6 25 1 30 29 6 24 1 29 212403.5396 -0.0780 0.050 234: 31 6 25 1 31 30 6 24 1 30 226044.9107 -0.0153 0.050 235: 32 6 27 1 32 31 6 26 1 31 224349.5178 -0.0420 0.050 236: 40 6 34 1 40 39 6 33 1 39 278103.6546 -0.0080 0.050 ! 237: 22 7 16 1 22 21 7 15 1 21 162960.4268 0.0178 0.050 238: 26 7 20 1 26 25 7 19 1 25 191965.8573 -0.0129 0.050 239: 29 7 23 1 29 28 7 22 1 28 211829.9925 0.0030 0.050 240: 31 7 25 1 31 30 7 24 1 30 224307.1574 -0.0197 0.050 241: 40 7 34 1 40 39 7 33 1 39 278088.6018 -0.0280 0.050 242: 25 7 18 1 25 24 7 17 1 24 192988.9602 0.0111 0.050 243: 29 7 22 1 29 28 7 21 1 28 223901.1723 -0.0021 0.050 244: 39 7 32 1 39 38 7 31 1 38 278644.0102 0.0061 0.050 245: 42 7 35 1 42 41 7 34 1 41 296197.1370 0.0108 0.050 ! 246: 22 8 15 1 22 21 8 14 1 21 162375.8404 0.0289 0.050 247: 26 8 19 1 26 25 8 18 1 25 193168.5596 0.0326 0.050 248: 29 8 22 1 29 28 8 21 1 28 215201.5854 0.0391 0.050 249: 39 8 32 1 39 38 8 31 1 38 278370.0992 0.0307 0.050 250: 45 8 38 1 45 44 8 37 1 44 313935.7808 -0.0177 0.050 251: 22 8 14 1 22 21 8 13 1 21 162846.5164 -0.0079 0.050 252: 25 8 17 1 25 24 8 16 1 24 187997.2886 0.0127 0.050 253: 28 8 20 1 28 27 8 19 1 27 215312.5683 -0.0402 0.050 254: 29 8 21 1 29 28 8 20 1 28 224332.4593 0.0237 0.050 255: 37 8 29 1 37 36 8 28 1 36 276200.7465 0.0164 0.050 256: 41 8 33 1 41 40 8 32 1 40 297306.0562 0.0184 0.050 257: 44 8 36 1 44 43 8 35 1 43 314459.8525 0.0568 0.050 258: 45 8 37 1 45 44 8 36 1 44 320291.1239 0.0122 0.050 ! 259: 22 9 14 1 22 21 9 13 1 21 161473.0736 0.0258 0.050 260: 26 9 18 1 26 25 9 17 1 25 192480.0076 0.0608 0.050 261: 29 9 21 1 29 28 9 20 1 28 215806.0472 0.0125 0.050 262: 30 9 22 1 30 29 9 21 1 29 223448.6611 0.0950 0.050 263: 38 9 30 1 38 37 9 29 1 37 278388.0065 0.0112 0.050 264: 41 9 33 1 41 40 9 32 1 40 296526.0674 -0.0069 0.050 265: 43 9 34 1 43 42 9 33 1 42 316590.0090 0.0162 0.050 266: 45 9 37 1 45 44 9 36 1 44 320189.5548 -0.0191 0.050 ! 267: 22 9 13 1 22 21 9 12 1 21 161516.9628 0.0166 0.050 268: 26 9 17 1 26 25 9 16 1 25 193132.9711 0.0218 0.050 269: 36 9 27 1 36 35 9 26 1 35 279395.8457 -0.0423 0.050 270: 39 9 30 1 39 38 9 29 1 38 296754.1456 0.0002 0.050 271: 44 9 35 1 44 43 9 34 1 43 321912.9135 -0.0100 0.050 ! 272: 28 10 19 1 28 27 10 18 1 27 206967.6639 0.0207 0.050 273: 29 10 20 1 29 28 10 19 1 28 214811.3143 0.0285 0.050 274: 37 10 28 1 37 36 10 27 1 36 275789.8374 0.0102 0.050 275: 40 10 31 1 40 39 10 30 1 39 295978.7724 -0.0538 0.050 276: 43 10 34 1 43 42 10 33 1 42 314632.3817 0.0026 0.050 277: 44 10 35 1 44 43 10 34 1 43 320640.2836 0.0084 0.050 278: 28 10 18 1 28 27 10 17 1 27 207233.1992 0.0091 0.050 279: 29 10 19 1 29 28 10 18 1 28 215300.3843 -0.0210 0.050 280: 30 10 20 1 30 29 10 19 1 29 223539.7100 0.0846 0.050 281: 36 10 26 1 36 35 10 25 1 35 278064.6933 0.0185 0.050 282: 38 10 28 1 38 37 10 27 1 37 295666.4736 0.0270 0.050 283: 41 10 31 1 41 40 10 30 1 40 316711.0041 -0.0303 0.050 284: 42 10 32 1 42 41 10 31 1 41 322240.1893 -0.0246 0.050 ! 285: 25 11 14 1 25 24 11 13 1 24 182876.0825 0.0408 0.050 286: 29 11 18 1 29 28 11 17 1 28 213658.5519 0.0260 0.050 287: 25 11 15 1 25 24 11 14 1 24 182873.7599 0.0180 0.050 288: 29 11 19 1 29 28 11 18 1 28 213606.7648 0.0576 0.050 289: 37 11 27 1 37 36 11 26 1 36 276495.2037 0.0442 0.050 290: 43 11 33 1 43 42 11 32 1 42 319717.5789 0.0311 0.050 ! 291: 26 12 14 1 26 25 12 13 1 25 189821.0035 -0.1897 0.050 -0.0348 0.50 292: 26 12 15 1 26 25 12 14 1 25 189821.0035 0.1202 0.050 -0.0348 0.50 293: 29 12 18 1 29 28 12 17 1 28 212642.5836 0.0056 0.050 294: 37 12 26 1 37 36 12 25 1 36 275300.4766 -0.0210 0.050 295: 42 12 31 1 42 41 12 30 1 41 314573.9203 0.0178 0.050 296: 43 12 32 1 43 42 12 31 1 42 322076.7229 -0.0025 0.050 297: 29 12 17 1 29 28 12 16 1 28 212646.6400 -0.0148 0.050 298: 37 12 25 1 37 36 12 24 1 36 276129.8781 0.0634 0.050 299: 42 12 30 1 42 41 12 29 1 41 321718.0003 0.0184 0.050 ! 300: 26 13 14 1 26 25 13 13 1 25 189304.2470 0.0014 0.050 -0.0056 0.50 301: 26 13 13 1 26 25 13 12 1 25 189304.2470 -0.0126 0.050 -0.0056 0.50 302: 29 13 17 1 29 28 13 16 1 28 211907.1171 0.1031 0.050 -0.0217 0.50 303: 29 13 16 1 29 28 13 15 1 28 211907.1171 -0.1465 0.050 -0.0217 0.50 304: 40 13 28 1 40 39 13 27 1 39 297619.9766 0.0385 0.050 305: 42 13 29 1 42 41 13 28 1 41 315349.2619 0.0318 0.050 306: 43 13 31 1 43 42 13 30 1 42 321621.6713 0.0185 0.050 ! 307: 26 14 12 1 26 25 14 11 1 25 188894.2377 0.0000 0.050 308: 40 14 26 1 40 39 14 25 1 39 296042.9266 -0.0478 0.050 309: 43 14 29 1 43 42 14 28 1 42 320354.1489 0.0387 0.050 310: 40 14 27 1 40 39 14 26 1 39 295966.9979 0.0548 0.050 311: 43 14 30 1 43 42 14 29 1 42 319904.5452 0.0679 0.050 ! 312: 22 15 7 1 22 21 15 6 1 21 159071.0982 -0.0833 0.050 313: 26 15 12 1 26 25 15 11 1 25 188559.6116 -0.0970 0.050 314: 31 15 16 1 31 30 15 15 1 30 225845.8002 0.0268 0.050 315: 38 15 23 1 38 37 15 22 1 37 279099.2454 -0.0968 0.050 316: 38 15 24 1 38 37 15 23 1 37 279097.7100 0.0615 0.050 ! 317: 22 16 6 1 22 21 16 5 1 21 158895.5563 0.0748 0.050 318: 26 16 10 1 26 25 16 9 1 25 188280.3391 0.0371 0.050 319: 27 16 11 1 27 26 16 10 1 26 195664.7263 0.0486 0.050 320: 31 16 15 1 31 30 16 14 1 30 225377.8348 0.0043 0.050 321: 38 16 23 1 38 37 16 22 1 37 278198.1642 0.1608 0.050 0.1032 0.50 322: 38 16 22 1 38 37 16 21 1 37 278198.1642 0.0454 0.050 0.1032 0.50 323: 43 16 27 1 43 42 16 26 1 42 316781.9789 0.0593 0.050 ! 324: 22 17 5 1 22 21 17 4 1 21 158743.5230 -0.0503 0.050 325: 26 17 9 1 26 25 17 8 1 25 188042.0678 -0.0567 0.050 326: 27 17 10 1 27 26 17 9 1 26 195400.1193 -0.0705 0.050 327: 31 17 14 1 31 30 17 13 1 30 224985.2943 0.0029 0.050 328: 38 17 21 1 38 37 17 20 1 37 277463.8738 -0.0109 0.050 329: 44 17 27 1 44 43 17 26 1 43 323382.0094 0.0741 0.050 330: 44 17 28 1 44 43 17 27 1 43 323381.1218 0.0905 0.050 ! 331: 22 18 4 1 22 21 18 3 1 21 158609.6989 -0.0840 0.050 332: 26 18 8 1 26 25 18 7 1 25 187835.3116 -0.0458 0.050 333: 27 18 9 1 27 26 18 8 1 26 195171.2861 -0.0239 0.050 334: 31 18 13 1 31 30 18 12 1 30 224649.6694 0.0190 0.050 335: 38 18 20 1 38 37 18 19 1 37 276850.4521 0.0808 0.050 336: 43 18 26 1 43 42 18 25 1 42 314737.5953 0.0204 0.050 0.0062 0.50 337: 43 18 25 1 43 42 18 24 1 42 314737.5953 -0.0080 0.050 0.0062 0.50 338: 44 18 26 1 44 43 18 25 1 43 322388.1016 -0.1056 0.050 -0.0733 0.50 339: 44 18 27 1 44 43 18 26 1 43 322388.1016 -0.0410 0.050 -0.0733 0.50 ! 340: 22 19 3 1 22 21 19 2 1 21 158489.8779 -0.0613 0.050 341: 26 19 7 1 26 25 19 6 1 25 187652.8100 -0.0542 0.050 342: 27 19 8 1 27 26 19 7 1 26 194969.8973 -0.0484 0.050 343: 31 19 12 1 31 30 19 11 1 30 224357.7571 -0.0346 0.050 344: 38 19 19 1 38 37 19 18 1 37 276327.5374 0.0892 0.050 345: 43 19 25 1 43 42 19 24 1 42 313969.8158 0.0494 0.050 346: 44 19 25 1 44 43 19 24 1 43 321560.4329 0.0032 0.050 ! 347: 22 20 2 1 22 21 20 1 1 21 158380.8131 -0.1024 0.050 348: 26 20 6 1 26 25 20 5 1 25 187489.2825 -0.0554 0.050 349: 27 20 7 1 27 26 20 6 1 26 194790.0714 -0.0245 0.050 350: 31 20 11 1 31 30 20 10 1 30 224100.1373 0.0000 0.050 351: 38 20 18 1 38 37 20 17 1 37 275874.3027 0.0857 0.050 352: 44 20 24 1 44 43 20 23 1 43 320855.9018 -0.0169 0.050 ! 353: 22 21 1 1 22 21 21 0 1 21 158280.2589 -0.0680 0.050 354: 26 21 5 1 26 25 21 4 1 25 187340.7202 -0.0358 0.050 355: 27 21 6 1 27 26 21 5 1 26 194627.1838 -0.0374 0.050 356: 31 21 10 1 31 30 21 9 1 30 223869.4940 -0.0294 0.050 357: 38 21 17 1 38 37 21 16 1 37 275475.6186 0.0129 0.050 358: 41 21 20 1 41 40 21 19 1 40 297791.2998 0.0157 0.050 359: 44 21 23 1 44 43 21 22 1 43 320245.8746 -0.0167 0.050 ! 360: 26 22 4 1 26 25 22 3 1 25 187203.9941 -0.0245 0.050 361: 27 22 5 1 27 26 22 4 1 26 194477.7692 -0.0598 0.050 362: 31 22 9 1 31 30 22 8 1 30 223660.4855 0.0004 0.050 363: 41 22 19 1 41 40 22 18 1 40 297353.2887 0.0475 0.050 ! 364: 26 23 3 1 26 25 23 2 1 25 187076.6824 -0.0198 0.050 365: 27 23 4 1 27 26 23 3 1 26 194339.1717 -0.0208 0.050 366: 31 23 8 1 31 30 23 7 1 30 223468.8048 0.0215 0.050 367: 41 23 18 1 41 40 23 17 1 40 296960.7953 -0.0497 0.050 ! 368: 26 24 2 1 26 25 24 1 1 25 186956.9067 0.0182 0.050 369: 27 24 3 1 27 26 24 2 1 26 194209.2400 0.0852 0.050 370: 31 24 7 1 31 30 24 6 1 30 223291.1287 0.0466 0.050 371: 41 24 17 1 41 40 24 16 1 40 296605.3556 -0.0714 0.050 ! 372: 27 25 2 1 27 26 25 1 1 26 194086.0839 0.0940 0.050 373: 30 25 5 1 30 29 25 4 1 29 215854.5207 0.0207 0.050 374: 41 25 16 1 41 40 25 15 1 40 296280.0958 -0.1255 0.050 ! 375: 27 26 1 1 27 26 26 0 1 26 193968.3978 0.0949 0.050 376: 30 26 4 1 30 29 26 3 1 29 215708.0839 0.0493 0.050 377: 41 26 15 1 41 40 26 14 1 40 295979.7301 -0.1351 0.050 ! 378: 30 27 3 1 30 29 27 2 1 29 215568.2243 0.0722 0.050 379: 41 27 14 1 41 40 27 13 1 40 295699.8291 -0.223 UNFITTD 295700.0522 ! 380: 30 28 2 1 30 29 28 1 1 29 215433.6577 0.0990 0.050 381: 44 30 14 1 44 43 30 14 1 43 316842.1794 -0.765 UNFITTD 316842.9450 382: 44 31 13 1 44 43 31 12 1 43 316578.2191 -0.886 UNFITTD 316579.1055 383: 44 32 12 1 44 43 32 11 1 43 316324.9223 -1.077 UNFITTD 316326.0000 384: 44 33 12 1 44 43 33 10 1 43 316080.6312 -1.228 UNFITTD 316081.8599 385: 45 33 13 1 45 44 33 12 1 44 323354.9872 -1.428 UNFITTD 323356.4157 386: 44 34 10 1 44 43 34 10 1 43 315843.8420 -1.339 UNFITTD 315845.1814 387: 45 34 11 1 45 44 34 10 1 44 323107.3528 -1.636 UNFITTD 323108.9888 388: 44 35 9 1 44 43 35 8 1 43 315613.2558 -1.422 UNFITTD 315614.6784 389: 45 35 10 1 45 44 35 9 1 44 322866.6005 -1.764 UNFITTD 322868.3651 390: 44 36 8 1 44 43 36 7 1 43 315387.6159 -1.628 UNFITTD 315389.2443 391: 45 36 9 1 45 44 36 8 1 44 322631.4792 -1.877 UNFITTD 322633.3571 392: 45 37 8 1 45 44 37 8 1 44 322400.8284 -2.110 UNFITTD 322402.9390 393: 44 37 7 1 44 43 37 6 1 43 315166.1780 -1.744 UNFITTD 315167.9226 394: 45 38 7 1 45 44 38 6 1 44 322173.7796 -2.439 UNFITTD 322176.2194 ! ! A symmetry, bR-types ! 395: 23 4 20 1 23 22 3 19 1 22 158844.7517 0.0128 0.050 396: 23 3 20 1 23 22 4 19 1 22 158289.1798 -0.0241 0.050 397: 24 3 21 1 24 23 4 20 1 23 164376.4811 0.0037 0.050 398: 20 5 16 1 20 19 4 15 1 19 158344.2122 0.0415 0.050 399: 26 5 22 1 26 25 4 21 1 25 183207.2057 0.1019 0.050 400: 27 5 23 1 27 26 4 22 1 26 188866.6480 0.0048 0.050 401: 28 5 24 1 28 27 4 23 1 27 194653.0316 0.0411 0.050 402: 31 5 27 1 31 30 4 26 1 30 212365.2172 0.0138 0.050 403: 33 5 29 1 33 32 4 28 1 32 224286.5176 -0.0164 0.050 404: 36 5 31 1 36 36 4 32 1 36 163111.5731 -0.0432 0.050 405: 23 4 19 1 23 22 5 18 1 22 161925.0797 -0.0162 0.050 406: 27 4 23 1 27 26 5 22 1 26 188170.3769 0.0115 0.050 407: 28 4 24 1 28 27 5 23 1 27 194265.1438 0.0181 0.050 408: 31 4 27 1 31 30 5 26 1 30 212303.0981 -0.0105 0.050 409: 33 4 29 1 33 32 5 28 1 32 224269.1548 -0.0004 0.050 410: 18 6 13 1 18 17 5 12 1 17 186917.6407 -0.0002 0.050 411: 19 6 14 1 19 18 5 13 1 18 188187.4648 0.0203 0.050 412: 22 6 17 1 22 21 5 16 1 21 188622.4028 -0.0322 0.050 413: 20 6 15 1 20 19 5 14 1 19 188660.0072 -0.0456 0.050 414: 21 6 16 1 21 20 5 15 1 20 188676.0227 -0.0843 0.050 415: 23 6 18 1 23 22 5 17 1 22 188899.6544 -0.0120 0.050 416: 24 6 19 1 24 23 5 18 1 23 189866.7509 -0.0625 0.050 417: 25 6 20 1 25 24 5 19 1 24 191762.5981 -0.0129 0.050 418: 26 6 21 1 26 25 5 20 1 25 194650.6410 0.0168 0.050 419: 30 6 25 1 30 29 5 24 1 29 213313.8665 -0.0014 0.050 420: 12 6 6 1 12 11 5 7 1 11 158620.6349 -0.0299 0.050 421: 16 6 10 1 16 15 5 11 1 15 189068.4490 -0.0797 0.050 422: 30 5 25 1 30 29 6 24 1 29 211878.4251 -0.0557 0.050 423: 32 5 27 1 32 31 6 26 1 31 224182.4632 -0.0454 0.050 424: 15 7 9 1 15 14 6 8 1 14 192696.8588 -0.0189 0.050 425: 15 7 8 1 15 14 6 9 1 14 193074.3015 -0.0282 0.050 426: 17 7 10 1 17 16 6 11 1 16 207309.4907 -0.0597 0.050 427: 18 7 11 1 18 17 6 12 1 17 214701.7848 -0.0725 0.050 428: 22 7 16 1 22 21 6 15 1 21 223533.9488 -0.1180 0.050 429: 23 7 17 1 23 22 6 16 1 22 223697.9605 -0.0641 0.050 430: 30 7 24 1 30 29 6 23 1 29 225295.3411 -0.0465 0.050 431: 40 7 34 1 40 39 6 33 1 39 278121.5503 -0.0088 0.050 432: 27 6 21 1 27 26 7 20 1 26 182971.2761 0.0619 0.050 433: 28 6 22 1 28 27 7 21 1 27 194528.3156 0.0350 0.050 434: 30 6 24 1 30 29 7 23 1 29 213555.6159 0.0307 0.050 435: 40 6 34 1 40 39 7 33 1 39 278070.7506 0.0172 0.050 436: 9 8 2 1 9 8 7 1 1 8 163569.5853 0.0101 0.050 437: 13 8 6 1 13 12 7 5 1 12 192258.2045 0.0109 0.050 438: 16 8 9 1 16 15 7 8 1 15 213445.0701 -0.0978 0.050 439: 13 8 5 1 13 12 7 6 1 12 192260.1822 -0.0427 0.050 440: 16 8 8 1 16 15 7 9 1 15 213499.0046 -0.0683 0.050 441: 39 8 32 1 39 38 7 31 1 38 279022.4374 -0.0270 0.050 442: 42 8 35 1 42 41 7 34 1 41 296265.7835 -0.0403 0.050 443: 45 8 38 1 45 44 7 37 1 44 313956.8029 0.0688 0.050 444: 31 7 24 1 31 30 8 23 1 30 212219.4319 0.1437 0.050 445: 32 7 25 1 32 31 8 24 1 31 224056.6634 0.0590 0.050 446: 39 7 32 1 39 38 8 31 1 38 277991.7243 0.1162 0.050 447: 42 7 35 1 42 41 8 34 1 41 296074.4088 -0.0453 0.050 448: 45 7 38 1 45 44 8 37 1 44 313924.4072 0.0171 0.050 449: 14 9 5 1 14 13 8 6 1 13 212639.7952 -0.1582 0.050 -0.0631 0.50 450: 14 9 6 1 14 13 8 5 1 13 212639.7952 0.0319 0.050 -0.0631 0.50 451: 23 9 14 1 23 22 8 15 1 22 275568.7147 -0.0766 0.050 452: 26 9 17 1 26 25 8 18 1 25 297300.2745 -0.1171 0.050 453: 28 9 19 1 28 27 8 20 1 27 314880.6350 -0.0640 0.050 454: 29 9 21 1 29 28 8 20 1 28 296015.8391 -0.0547 0.050 455: 44 9 36 1 44 43 8 35 1 43 314696.4603 -0.0571 0.050 456: 45 9 37 1 45 44 8 36 1 44 320426.2673 -0.0284 0.050 457: 33 8 25 1 33 32 9 24 1 32 212616.7359 0.0858 0.050 458: 45 8 37 1 45 44 9 36 1 44 320054.4072 0.0173 0.050 459: 14 10 5 1 14 13 9 4 1 13 225842.0847 -0.0399 0.050 460: 21 10 11 1 21 20 9 12 1 20 275462.8647 -0.0129 0.050 461: 21 10 12 1 21 20 9 11 1 20 275446.9911 -0.1076 0.050 462: 24 10 15 1 24 23 9 14 1 23 295921.9577 -0.212 UNFITTD 295922.1698 463: 24 10 14 1 24 23 9 15 1 23 296119.0810 -0.1271 0.050 464: 27 10 18 1 27 26 9 17 1 26 314872.4780 -0.0835 0.050 465: 27 10 17 1 27 26 9 18 1 26 316505.2684 -0.0638 0.050 466: 28 10 19 1 28 27 9 18 1 27 320408.0402 -0.0302 0.050 467: 28 10 18 1 28 27 9 19 1 27 323451.9516 -0.0748 0.050 468: 37 10 28 1 37 36 9 27 1 36 319993.7650 -0.0327 0.050 469: 38 10 29 1 38 37 9 28 1 37 316897.8717 0.0798 0.050 470: 39 10 30 1 39 38 9 29 1 38 314794.7993 -0.0150 0.050 471: 43 10 34 1 43 42 9 33 1 42 319907.7929 0.0718 0.050 472/ 34 9 25 1 34 33 10 24 1 33 187915.8214 0.1526 0.050 473: 36 9 27 1 36 35 10 26 1 35 224440.6870 0.0644 0.050 474: 12 11 2 1 12 11 10 1 1 11 224639.6151 -0.0328 0.050 475: 25 11 14 1 25 24 10 15 1 24 316773.0689 -0.0898 0.050 476: 23 12 11 1 23 22 11 12 1 22 316387.5123 -0.1794 0.050 -0.0630 0.50 477: 23 12 12 1 23 22 11 11 1 22 316387.5123 0.0534 0.050 -0.0630 0.50 478: 22 13 10 1 22 21 12 9 1 21 322607.9179 -0.1310 0.050 479: 40 12 28 1 40 39 13 27 1 39 161780.7924 0.0061 0.050 480: 42 12 30 1 42 41 13 29 1 41 192270.2153 -0.0654 0.050 481: 21 13 9 1 21 20 12 8 1 20 315489.8646 -0.0369 0.050 482: 14 14 1 1 14 13 13 0 1 13 278492.2289 0.0174 0.050 483: 19 14 6 1 19 18 13 5 1 18 314381.2035 -0.0353 0.050 484: 20 14 7 1 20 19 13 6 1 19 321540.6806 -0.0333 0.050 485: 18 15 4 1 18 17 14 3 1 17 320370.8620 -0.0194 0.050 486: 53 16 37 1 53 52 17 36 1 52 211536.0040 -0.529 UNFITTD 211536.5335 487: 54 16 38 1 54 53 17 37 1 53 224727.8133 -0.583 UNFITTD 224728.3967 ! ! A symmetry, bQ-types ! 488: 56 1 55 1 56 56 0 56 1 56 316556.8399 0.0415 0.050 489: 34 2 33 1 34 34 1 34 1 34 190069.4346 0.0241 0.050 490: 37 2 36 1 37 37 1 37 1 37 207339.5511 0.1030 0.050 491: 38 2 37 1 38 38 1 38 1 38 213094.4428 -0.0329 0.050 492: 40 2 39 1 40 40 1 40 1 40 224602.2144 0.0436 0.050 493: 49 2 48 1 49 49 1 49 1 49 276349.8343 0.0751 0.050 494: 31 3 29 1 31 31 2 30 1 31 163840.9974 -0.0407 0.050 -0.0228 0.50 495: 31 2 29 1 31 31 1 30 1 31 163840.9974 -0.0048 0.050 -0.0228 0.50 496: 35 2 33 1 35 35 1 34 1 35 186943.8814 -0.0540 0.050 -0.0550 0.50 497: 35 3 33 1 35 35 2 34 1 35 186943.8814 -0.0559 0.050 -0.0550 0.50 498: 36 2 34 1 36 36 1 35 1 36 192713.7922 -0.0002 0.050 -0.0007 0.50 499: 36 3 34 1 36 36 2 35 1 36 192713.7922 -0.0011 0.050 -0.0007 0.50 500: 40 2 38 1 40 40 1 39 1 40 215774.1730 -0.0154 0.050 501: 34 4 30 1 34 34 3 31 1 34 161901.0779 -0.0346 0.050 502: 37 4 34 1 37 37 3 35 1 37 189237.8005 -0.1010 0.050 corr 503: 38 4 35 1 38 38 3 36 1 38 195030.4113 -0.0446 0.050 504: 43 4 40 1 43 43 3 41 1 43 223939.6740 -0.0164 0.050 505: 52 4 49 1 52 52 3 50 1 52 275810.3452 0.0806 0.050 506/ 59 4 56 1 59 59 3 57 1 59 316045.7789 -0.1561 0.050 507: 16 5 11 1 16 15 4 12 1 15 190189.9373 -0.0210 0.050 508: 34 5 30 1 34 34 4 31 1 34 161904.0038 -0.0757 0.050 509: 43 5 39 1 43 43 4 40 1 43 214446.8195 -0.0590 0.050 -0.0559 0.50 510: 43 4 39 1 43 43 3 40 1 43 214446.8195 -0.0527 0.050 -0.0559 0.50 511: 45 4 41 1 45 45 3 42 1 45 226050.0350 -0.0627 0.050 -0.0635 0.50 512: 45 5 41 1 45 45 4 42 1 45 226050.0350 -0.0642 0.050 -0.0635 0.50 513: 36 6 31 1 36 36 5 32 1 36 163125.4024 -0.0805 0.050 514: 38 6 32 1 38 38 5 33 1 38 163765.6749 -0.0503 0.050 515: 43 6 37 1 43 43 5 38 1 43 193860.7858 -0.0401 0.050 516/ 46 6 40 1 46 46 5 41 1 46 211655.5766 0.1836 0.050 517: 48 6 42 1 48 48 5 43 1 48 223447.2896 0.0909 0.050 518: 57 6 51 1 57 57 5 52 1 57 276036.3602 0.0163 0.050 519: 59 6 54 1 59 59 5 55 1 59 297409.0696 -0.0305 0.050 520: 62 6 57 1 62 62 5 58 1 62 314705.2893 -0.0222 0.050 521: 64 6 58 1 64 64 5 59 1 64 316580.6824 0.0773 0.050 522: 65 6 59 1 65 65 5 60 1 65 322354.0804 -0.0463 0.050 ! 523: 40 7 33 1 40 40 6 34 1 40 163751.0566 -0.0197 0.050 524: 44 7 37 1 44 44 6 38 1 44 188470.6424 0.1069 0.050 525: 45 7 38 1 45 45 6 39 1 45 194540.6865 -0.0133 0.050 526: 38 7 32 1 38 38 6 33 1 38 163821.5947 -0.0427 0.050 527: 42 7 36 1 42 42 6 37 1 42 187898.6672 -0.0384 0.050 528: 43 7 37 1 43 43 6 38 1 43 193863.3509 -0.0586 0.050 529: 45 7 38 1 45 45 6 39 1 45 194540.6865 -0.0133 0.050 530: 50 7 43 1 50 50 6 44 1 50 224513.7914 0.1922 0.050 -0.0400 0.50 531: 50 8 43 1 50 50 7 44 1 50 224513.7914 -0.2721 0.050 -0.0400 0.50 532: 59 7 52 1 59 59 6 53 1 59 277505.5283 0.0281 0.050 0.0276 0.50 533: 59 8 52 1 59 59 7 53 1 59 277505.5283 0.0270 0.050 0.0276 0.50 ! 534: 40 8 33 1 40 40 7 34 1 40 163949.8744 -0.0356 0.050 535: 44 8 37 1 44 44 7 38 1 44 188490.0261 -0.0033 0.050 536: 45 8 38 1 45 45 7 39 1 45 194551.2112 -0.1424 0.050 537: 48 8 41 1 48 48 7 42 1 48 212589.5071 0.0418 0.050 538: 42 8 34 1 42 42 7 35 1 42 162860.9665 0.0013 0.050 539: 46 8 38 1 46 46 7 39 1 46 188492.5030 0.0328 0.050 540: 47 8 39 1 47 47 7 40 1 47 194705.6866 0.0059 0.050 541: 49 8 41 1 49 49 7 42 1 49 206997.2379 0.0281 0.050 542: 50 8 42 1 50 50 7 43 1 50 213089.2054 0.0059 0.050 543: 52 8 44 1 52 52 7 45 1 52 225188.2334 0.0108 0.050 ! 544: 48 9 39 1 48 48 8 40 1 48 187843.6990 -0.0741 0.050 545: 52 9 43 1 52 52 8 44 1 52 213109.6455 0.0384 0.050 546: 54 9 45 1 54 54 8 46 1 54 225433.5029 0.0340 0.050 547: 42 9 34 1 42 42 8 35 1 42 163493.0798 0.0065 0.050 548: 47 9 39 1 47 47 8 40 1 47 194745.1573 0.0190 0.050 549: 49 9 41 1 49 49 8 42 1 49 207009.3584 0.0264 0.050 550: 50 9 42 1 50 50 8 43 1 50 213095.8230 -0.0133 0.050 551: 52 9 44 1 52 52 8 45 1 52 225190.2092 0.0405 0.050 552: 61 9 53 1 61 61 8 54 1 61 278691.2485 0.0598 0.050 0.0627 0.50 553: 61 8 53 1 61 61 7 54 1 61 278691.2485 0.0656 0.050 0.0627 0.50 554: 64 9 56 1 64 64 8 57 1 64 296294.1532 0.0198 0.050 0.0202 0.50 555: 64 8 56 1 64 64 7 57 1 64 296294.1532 0.0205 0.050 0.0202 0.50 ! 556: 44 10 35 1 44 44 9 36 1 44 162508.0025 0.0301 0.050 557: 48 10 39 1 48 48 9 40 1 48 188073.4522 0.0311 0.050 558: 54 10 45 1 54 54 9 46 1 54 225440.8702 -0.0210 0.050 559: 51 10 41 1 51 51 9 42 1 51 193067.0214 -0.0368 0.050 560: 54 10 44 1 54 54 9 45 1 54 212576.2899 0.0175 0.050 561: 56 10 46 1 56 56 9 47 1 56 225198.7799 -0.0432 0.050 ! 562: 50 11 40 1 50 50 10 41 1 50 187002.8838 -0.0200 0.050 563: 51 11 41 1 51 51 10 42 1 51 193475.7468 -0.0196 0.050 564: 54 11 44 1 54 54 10 45 1 54 212656.7969 -0.0970 0.050 565: 56 11 46 1 56 56 10 47 1 56 225224.8323 -0.0021 0.050 ! 566: 53 12 42 1 53 53 11 43 1 53 191983.5402 -0.0235 0.050 567: 55 12 43 1 55 55 11 44 1 55 187026.0990 -0.349 UNFITTD 187026.4485 568: 56 12 45 1 56 56 11 46 1 56 211621.0134 -0.1346 0.050 ! 569/ 13 13 0 1 13 13 12 1 1 13 164424.4273 -0.1640 0.050 570: 14 13 1 1 14 14 12 2 1 14 164337.4268 -0.213 UNFITTD 164337.6406 571: 15 13 2 1 15 15 12 3 1 15 164232.8646 -0.0544 0.050 572: 16 13 3 1 16 16 12 4 1 16 164107.9794 0.0077 0.050 573: 17 13 4 1 17 17 12 5 1 17 163960.1421 -0.0018 0.050 574: 18 13 5 1 18 18 12 6 1 18 163786.5577 -0.0099 0.050 575: 19 13 6 1 19 19 12 7 1 19 163584.0992 -0.0440 0.050 576: 20 13 7 1 20 20 12 8 1 20 163349.4723 -0.0456 0.050 577: 21 13 8 1 21 21 12 9 1 21 163079.0763 0.0180 0.050 578: 22 13 9 1 22 22 12 10 1 22 162768.8185 0.0022 0.050 579: 23 13 10 1 23 23 12 11 1 23 162414.4161 -0.0705 0.050 580: 24 13 11 1 24 24 12 12 1 24 162011.3609 0.0093 0.050 581: 25 13 13 1 25 25 12 14 1 25 161554.3647 -0.0249 0.050 582: 29 13 17 1 29 29 12 18 1 29 159064.4488 0.0356 0.050 583: 29 13 16 1 29 29 12 17 1 29 159057.6097 -0.0775 0.050 584: 30 13 17 1 30 30 12 18 1 30 158225.3944 -0.0195 0.050 585: 30 13 18 1 30 30 12 19 1 30 158240.4174 -0.0265 0.050 586: 55 13 43 1 55 55 12 44 1 55 190027.1304 -0.245 UNFITTD 190027.3761 587: 58 13 45 1 58 58 12 46 1 58 189775.0378 -0.799 UNFITTD 189775.8374 ! 588: 38 14 25 1 38 38 13 26 1 38 164339.3880 -0.0645 0.050 589: 38 14 24 1 38 38 13 25 1 38 163970.6106 0.0662 0.050 590: 39 14 25 1 39 39 13 26 1 39 162110.6092 0.0834 0.050 591: 39 14 26 1 39 39 13 27 1 39 162790.1708 0.1100 0.050 592: 57 14 44 1 57 57 13 45 1 57 187888.3351 -0.527 UNFITTD 187888.8631 593: 58 14 45 1 58 58 13 46 1 58 194430.2375 -0.621 UNFITTD 194430.8589 594: 61 14 48 1 61 61 13 49 1 61 214601.7264 -0.863 UNFITTD 214602.5901 ! 595: 19 15 4 1 19 19 14 5 1 19 190286.5727 0.0096 0.050 596: 20 15 5 1 20 20 14 6 1 20 190127.2114 0.0432 0.050 597: 21 15 6 1 21 21 14 7 1 21 189944.9131 -0.0135 0.050 598: 22 15 7 1 22 22 14 8 1 22 189737.5379 0.0066 0.050 599: 23 15 8 1 23 23 14 9 1 23 189502.5156 0.0015 0.050 600: 24 15 9 1 24 24 14 10 1 24 189237.2971 0.0648 0.050 601: 25 15 10 1 25 25 14 11 1 25 188938.8884 0.0376 0.050 602: 26 15 11 1 26 26 14 12 1 26 188604.3022 -0.0195 0.050 -0.0199 0.50 603: 26 15 12 1 26 26 14 13 1 26 188604.3022 -0.0202 0.050 -0.0199 0.50 604: 27 15 12 1 27 27 14 13 1 27 188230.3425 -0.0170 0.050 -0.0182 0.50 605: 27 15 13 1 27 27 14 14 1 27 188230.3425 -0.0193 0.050 -0.0182 0.50 606: 28 15 13 1 28 28 14 14 1 28 187813.3484 -0.0622 0.050 -0.0655 0.50 607: 28 15 14 1 28 28 14 15 1 28 187813.3484 -0.0687 0.050 -0.0655 0.50 608: 29 15 15 1 29 29 14 16 1 29 187349.5318 -0.1033 0.050 -0.0942 0.50 609: 29 15 14 1 29 29 14 15 1 29 187349.5318 -0.0851 0.050 -0.0942 0.50 610: 35 15 20 1 35 35 14 21 1 35 183313.8699 -0.0187 0.050 611/ 46 15 31 1 46 46 14 32 1 46 162805.6149 0.1656 0.050 612: 47 15 32 1 47 47 14 33 1 47 158335.6599 0.203 UNFITTD 158335.4563 613: 48 15 34 1 48 48 14 35 1 48 163689.2278 0.1036 0.050 614: 49 15 35 1 49 49 14 36 1 49 162310.7276 0.1172 0.050 615: 54 15 40 1 54 54 14 41 1 54 164310.3001 -0.242 UNFITTD 164310.5426 ! 616: 38 16 22 1 38 38 15 23 1 38 195365.7942 0.0158 0.050 617: 39 16 23 1 39 39 15 24 1 39 194377.8222 0.0285 0.050 618: 40 16 24 1 40 40 15 25 1 40 193293.8072 0.0487 0.050 619: 41 16 25 1 41 41 15 26 1 41 192102.4395 0.0759 0.050 620: 43 16 27 1 43 43 15 28 1 43 189336.3109 0.1062 0.050 621: 44 16 28 1 44 44 15 29 1 44 187717.8622 0.0848 0.050 622: 39 16 24 1 39 39 15 25 1 39 194383.9878 -0.0024 0.050 623: 40 16 25 1 40 40 15 26 1 40 193306.7249 -0.0036 0.050 624: 41 16 26 1 41 41 15 27 1 41 192128.8902 0.0708 0.050 625: 43 16 28 1 43 43 15 29 1 43 189438.4040 0.0608 0.050 626: 44 16 29 1 44 44 15 30 1 44 187911.3626 0.0868 0.050 ! 627: 25 17 8 1 25 25 16 9 1 25 215869.3597 0.0522 0.050 628: 26 17 9 1 26 26 16 10 1 26 215631.1649 0.0348 0.050 629: 27 17 10 1 27 27 16 11 1 27 215366.6834 0.0411 0.050 630: 28 17 11 1 28 28 16 12 1 28 215073.7533 0.0454 0.050 631: 29 17 12 1 29 29 16 13 1 29 214750.0841 0.0313 0.050 632: 30 17 13 1 30 30 16 14 1 30 214393.3026 0.0508 0.050 633: 31 17 14 1 31 31 16 15 1 31 214000.6117 -0.1009 0.050 634: 32 17 15 1 32 32 16 16 1 32 213569.7002 0.0424 0.050 635: 33 17 16 1 33 33 16 17 1 33 213097.0024 -0.0995 0.050 636: 34 17 17 1 34 34 16 18 1 34 212579.9232 0.0960 0.050 637: 35 17 18 1 35 35 16 19 1 35 212014.3781 0.0272 0.050 638: 41 17 24 1 41 41 16 25 1 41 207369.3274 0.0898 0.050 639: 41 17 25 1 41 41 16 26 1 41 207371.4110 0.0449 0.050 640: 49 17 32 1 49 49 16 33 1 49 195681.2373 0.1179 0.050 641: 50 17 34 1 50 50 16 35 1 50 194199.1001 0.0552 0.050 642: 50 17 33 1 50 50 16 34 1 50 193371.9342 0.0478 0.050 643: 51 17 35 1 51 51 16 36 1 51 192137.5402 -0.0256 0.050 644: 52 17 35 1 52 52 16 36 1 52 187574.4904 0.0578 0.050 645: 52 17 36 1 52 52 16 37 1 52 189991.4237 -0.0389 0.050 646: 53 17 37 1 53 53 16 38 1 53 187806.7181 -0.0384 0.050 ! 647: 35 18 17 1 35 35 17 18 1 35 225951.2961 -0.0261 0.050 648: 36 18 18 1 36 36 17 19 1 36 225431.7190 0.1448 0.050 649: 37 18 19 1 37 37 17 20 1 37 224866.5330 -0.0687 0.050 650: 38 18 20 1 38 38 17 21 1 38 224253.1112 0.0229 0.050 651: 39 18 21 1 39 39 17 22 1 39 223587.5092 0.0736 0.050 652: 47 18 29 1 47 47 17 30 1 47 215814.2802 0.0205 0.050 653: 48 18 30 1 48 48 17 31 1 48 214436.3889 -0.0340 0.050 654: 49 18 31 1 49 49 17 32 1 49 212934.0164 -0.0549 0.050 655: 52 18 34 1 52 52 17 35 1 52 207470.4348 -0.0600 0.050 656: 57 18 39 1 57 57 17 40 1 57 192076.5970 -0.223 UNFITTD 192076.8207 657: 58 18 40 1 58 58 17 41 1 58 187049.8178 -0.1348 0.050 658: 49 18 32 1 49 49 17 33 1 49 212986.6614 -0.0555 0.050 659: 48 18 31 1 48 48 17 32 1 48 214463.5583 -0.0722 0.050 660: 47 18 30 1 47 47 17 31 1 47 215828.0355 0.0122 0.050 ! 661: 52 19 34 1 52 52 18 35 1 52 224710.5641 -0.324 UNFITTD 224710.8882 662: 52 19 33 1 52 52 18 34 1 52 224672.9639 -0.322 UNFITTD 224673.2859 663: 57 19 38 1 57 57 18 39 1 57 214515.5099 -0.533 UNFITTD 214516.0430 664: 57 19 39 1 57 57 18 40 1 57 215269.0998 -0.727 UNFITTD 215269.8269 665: 58 19 40 1 58 58 18 41 1 58 212990.0899 -0.754 UNFITTD 212990.8448 666: 58 19 39 1 58 58 18 40 1 58 211697.6380 -0.701 UNFITTD 211698.3399 ! 667: 46 22 24 1 46 46 21 25 1 46 275502.8920 -0.246 UNFITTD 275503.1385 668: 45 22 23 1 45 45 21 24 1 45 276113.9792 -0.213 UNFITTD 276114.1927 669: 44 22 22 1 44 44 21 23 1 44 276686.5688 -0.0940 0.050 670: 43 22 21 1 43 43 21 22 1 43 277222.5822 -0.0776 0.050 671: 42 22 20 1 42 42 21 21 1 42 277724.1196 -0.0494 0.050 672: 41 22 19 1 41 41 21 20 1 41 278192.9805 -0.0810 0.050 673: 40 22 18 1 40 40 21 19 1 40 278631.0854 -0.0190 0.050 674: 39 22 17 1 39 39 21 18 1 39 279040.0295 0.0598 0.050 675: 38 22 16 1 38 38 21 17 1 38 279421.2731 0.0315 0.050 ! 676: 24 23 1 1 24 24 22 2 1 24 295848.2357 0.0626 0.050 677: 25 23 2 1 25 25 22 3 1 25 295731.4718 0.0079 0.050 678: 26 23 3 1 26 26 22 4 1 26 295604.1326 -0.0148 0.050 ! 679: 27 25 2 1 27 27 24 3 1 27 322014.0001 0.0284 0.050 680: 28 25 3 1 28 28 24 4 1 28 321880.8898 -0.0313 0.050 681: 29 25 4 1 29 29 24 5 1 29 321737.3886 -0.0042 0.050 682: 30 25 5 1 30 30 24 6 1 30 321582.7453 -0.0249 0.050 683: 31 25 6 1 31 31 24 7 1 31 321416.4154 0.0038 0.050 684: 32 25 7 1 32 32 24 8 1 32 321237.6605 0.0112 0.050 685: 33 25 8 1 33 33 24 9 1 33 321045.8184 0.0291 0.050 686: 34 25 9 1 34 34 24 10 1 34 320840.1299 0.0203 0.050 687: 35 25 10 1 35 35 24 11 1 35 320619.8843 0.0246 0.050 688: 36 25 11 1 36 36 24 12 1 36 320384.2794 0.0201 0.050 689: 38 25 13 1 38 38 24 14 1 38 319863.6925 -0.0352 0.050 690: 39 25 14 1 39 39 24 15 1 39 319577.0373 -0.0365 0.050 691: 47 25 23 1 47 47 24 24 1 47 316520.9245 -0.684 UNFITTD 316521.6092 692: 48 25 23 1 48 48 24 24 1 48 316026.9415 -0.780 UNFITTD 316027.7220 693: 49 25 24 1 49 49 24 25 1 49 315503.8985 -0.862 UNFITTD 315504.7606 -------------------------------------------------------------------------------------========= 42 Lines rejected from fit PARAMETERS IN FIT: 10000 A /MHz 10185.86597(20) 1 -10011 A /MHz 10185.86597(20) = 1.00000 * 1 20000 B /MHz 4157.707169(97) 2 -20011 B /MHz 4157.707169(97) = 1.00000 * 2 30000 C /MHz 3002.760177(86) 3 -30011 C /MHz 3002.760177(86) = 1.00000 * 3 200 DJ /kHz 0.836735(88) 4 -211 -DJ /kHz 0.836735(88) = 1.00000 * 4 1100 DJK /kHz 18.02136(48) 5 -1111 -DJK /kHz 18.02136(48) = 1.00000 * 5 2000 DK /kHz -6.6654(13) 6 -2011 -DK /kHz -6.6654(13) = 1.00000 * 6 40100 dJ /kHz 0.276439(29) 7 -40111 -dJ /kHz 0.276439(29) = 1.00000 * 7 41000 dK /kHz 10.68129(77) 8 -41011 -dK /kHz 10.68129(77) = 1.00000 * 8 300 HJ /Hz 0.001770(27) 9 -311 HJ /Hz 0.001770(27) = 1.00000 * 9 1200 HJK /Hz 0.22178(26) 10 -1211 HJK /Hz 0.22178(26) = 1.00000 * 10 2100 HKJ /Hz -0.39817(97) 11 -2111 HKJ /Hz -0.39817(97) = 1.00000 * 11 3000 HK /Hz 0.2759(16) 12 -3011 HK /Hz 0.2759(16) = 1.00000 * 12 40200 hJ /Hz 0.0008984(88) 13 -40211 hJ /Hz 0.0008984(88) = 1.00000 * 13 41100 hJK /Hz 0.12274(25) 14 -41111 hJK /Hz 0.12274(25) = 1.00000 * 14 42000 hK /Hz 0.6295(16) 15 -42011 hK /Hz 0.6295(16) = 1.00000 * 15 110010000 1.5X.a /MHz -6.8574(15) 16 110040000 X(b-c)/4 /MHz -0.23447(55) 17 110610000 chi.ab /MHz [-0.52] 18 MICROWAVE AVG = -0.002361 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.048907 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 1.08598 1.08598 distinct frequency lines in fit: 583 distinct parameters of fit: 17 for standard errors previous errors are multiplied by: 1.102168 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: 10000 A /MHz 10185.86597(22) 1 -10011 A /MHz 10185.86597(22) = 1.00000 * 1 20000 B /MHz 4157.70716(10) 2 -20011 B /MHz 4157.70716(10) = 1.00000 * 2 30000 C /MHz 3002.760177(94) 3 -30011 C /MHz 3002.760177(94) = 1.00000 * 3 200 DJ /kHz 0.836735(96) 4 -211 -DJ /kHz 0.836735(96) = 1.00000 * 4 1100 DJK /kHz 18.02136(52) 5 -1111 -DJK /kHz 18.02136(52) = 1.00000 * 5 2000 DK /kHz -6.6654(14) 6 -2011 -DK /kHz -6.6654(14) = 1.00000 * 6 40100 dJ /kHz 0.276439(32) 7 -40111 -dJ /kHz 0.276439(32) = 1.00000 * 7 41000 dK /kHz 10.68129(84) 8 -41011 -dK /kHz 10.68129(84) = 1.00000 * 8 300 HJ /Hz 0.001770(29) 9 -311 HJ /Hz 0.001770(29) = 1.00000 * 9 1200 HJK /Hz 0.22178(29) 10 -1211 HJK /Hz 0.22178(29) = 1.00000 * 10 2100 HKJ /Hz -0.3981(10) 11 -2111 HKJ /Hz -0.3981(10) = 1.00000 * 11 3000 HK /Hz 0.2759(17) 12 -3011 HK /Hz 0.2759(17) = 1.00000 * 12 40200 hJ /Hz 0.0008984(96) 13 -40211 hJ /Hz 0.0008984(96) = 1.00000 * 13 41100 hJK /Hz 0.12274(28) 14 -41111 hJK /Hz 0.12274(28) = 1.00000 * 14 42000 hK /Hz 0.6295(17) 15 -42011 hK /Hz 0.6295(17) = 1.00000 * 15 110010000 1.5X.a /MHz -6.8574(16) 16 110040000 X(b-c)/4 /MHz -0.23447(60) 17 110610000 chi.ab /MHz [-0.52] 18 CORRELATION COEFFICIENTS, C.ij: A B C -DJ -DJK -DK -dJ -dK A 1.0000 B 0.3139 1.0000 C 0.3107 0.3700 1.0000 -DJ -0.1927 -0.5498 -0.5120 1.0000 -DJK -0.2402 -0.0151 -0.1120 -0.1328 1.0000 -DK -0.3120 0.0184 0.0308 0.1038 -0.5991 1.0000 -dJ -0.0077 -0.5128 0.3679 0.1787 -0.0759 0.0144 1.0000 -dK 0.0260 -0.1197 -0.0096 0.3314 0.2688 -0.2669 0.2183 1.0000 HJ 0.1293 0.4017 0.3551 -0.9515 0.1642 -0.1131 -0.2225 -0.3401 HJK 0.0952 0.0759 0.0413 0.0280 -0.4760 0.2750 -0.1875 -0.0621 HKJ 0.0885 -0.0618 0.0472 -0.0175 -0.2570 0.0703 0.2281 -0.2487 HK 0.1739 0.0136 -0.0376 -0.0471 0.5760 -0.8387 -0.1029 0.3587 hJ 0.0028 0.3800 -0.2460 -0.2234 0.0618 -0.0089 -0.9236 -0.2590 hJK -0.0188 0.1505 -0.0076 -0.3458 -0.2134 0.2168 -0.3287 -0.9447 hK 0.0357 0.0833 -0.0102 -0.0759 -0.1585 0.0969 -0.2996 -0.0666 1.5X.a 0.0108 0.0583 0.0299 -0.0352 0.0013 0.0039 -0.0246 -0.0061 X(b-c)/4 0.0249 0.0960 -0.0012 -0.0384 0.0038 -0.0020 -0.0722 -0.0098 HJ HJK HKJ HK hJ hJK hK 1.5X.a HJ 1.0000 HJK 0.0028 1.0000 HKJ -0.0341 -0.6708 1.0000 HK 0.0713 0.1127 -0.5588 1.0000 hJ 0.3095 0.3619 -0.3741 0.1577 1.0000 hJK 0.3874 0.2074 0.0328 -0.2100 0.4099 1.0000 hK 0.1530 0.8675 -0.6931 0.2189 0.5310 0.2056 1.0000 1.5X.a 0.0254 0.0034 -0.0043 -0.0006 0.0185 0.0076 0.0040 1.0000 X(b-c)/4 0.0283 0.0063 -0.0093 0.0055 0.0518 0.0141 0.0093 0.1069 X(b-c)/4 X(b-c)/4 1.0000 Mean value of |C.ij|, i.ne.j = 0.1893 Mean value of C.ij, i.ne.j = -0.0239 Worst fitting lines (obs-calc/error): 516: 3.7 84: -3.5 66: 3.4 611: 3.3 569: -3.3 506: -3.1 55: 3.1 472: 3.1 648: 2.9 444: 2.9 536: -2.8 178: -2.7 377: -2.7 657: -2.7 568: -2.7 106: -2.7 478: -2.6 52: 2.6 463: -2.5 374: -2.5 112: -2.5 428: -2.4 640: 2.4 46: -2.4 614: 2.3 452: -2.3 446: 2.3 23: -2.3 591: 2.2 461: -2.2 60: 2.1 78: 2.1 524: 2.1 620: 2.1 613: 2.1 321: 2.1 490: 2.1 128: -2.1 347: -2.0 399: 2.0 502: -2.0 633: -2.0 635: -2.0 380: 2.0 438: -2.0 37: 1.9 63: 1.9 564: -1.9 313: -1.9 315: -1.9 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM \/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/ /\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\ CUT HERE \/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\ \/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/ pyruvonitrile: ground state, A-sublevel Wed Nov 04 10:52:21 2009 33 693 25 0 0.0000E+000 4.0000E+000 1.0000E+000 1.0000000000 'a' 3 2 0, 15, , , , ,-1, ,,,,, 'a' 1 1 0, 60, , , , , , ,,,,, 10000 1.018586597502982E+004 1.00000000E+000 /A -10011 1.018586597502982E+004 1.00000000E-037 /A 20000 4.157707169174283E+003 1.00000000E+000 /B -20011 4.157707169174283E+003 1.00000000E-037 /B 30000 3.002760177404478E+003 1.00000000E+000 /C -30011 3.002760177404478E+003 1.00000000E-037 /C 200 -8.367346058530846E-004 1.00000000E+000 /-DJ -211 -8.367346058530846E-004 1.00000000E-037 /-DJ 1100 -1.802135556448996E-002 1.00000000E+000 /-DJK -1111 -1.802135556448996E-002 1.00000000E-037 /-DJK 2000 6.665418554323429E-003 1.00000000E+000 /-DK -2011 6.665418554323429E-003 1.00000000E-037 /-DK 40100 -2.764392493944259E-004 1.00000000E+000 /-dJ -40111 -2.764392493944259E-004 1.00000000E-037 /-dJ 41000 -1.068128789208958E-002 1.00000000E+000 /-dK -41011 -1.068128789208958E-002 1.00000000E-037 /-dK 300 1.770763878283300E-009 1.00000000E+000 /HJ -311 1.770763878283300E-009 1.00000000E-037 /HJ 1200 2.217818700643205E-007 1.00000000E+000 /HJK -1211 2.217818700643205E-007 1.00000000E-037 /HJK 2100 -3.981711363586673E-007 1.00000000E+000 /HKJ -2111 -3.981711363586673E-007 1.00000000E-037 /HKJ 3000 2.759421353211020E-007 1.00000000E+000 /HK -3011 2.759421353211020E-007 1.00000000E-037 /HK 40200 8.983969943984438E-010 1.00000000E+000 /hJ -40211 8.983969943984438E-010 1.00000000E-037 /hJ 41100 1.227437791576434E-007 1.00000000E+000 /hJK -41111 1.227437791576434E-007 1.00000000E-037 /hJK 42000 6.295785665196517E-007 1.00000000E+000 /hK -42011 6.295785665196517E-007 1.00000000E-037 /hK 110010000 -6.857485027680137E+000 1.00000000E+000 / 1.5X.a 110040000 -2.344658326703280E-001 1.00000000E+000 /X(b-c)/4 110610000 -5.200000000000000E-001 1.00000000E-037 /chi.ab ! !----------------------------------------------------------------------- \/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/ /\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\ CUT HERE \/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\ \/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/ 1 0 1 0 1 0 0 0 0 1 0 0 7159.32268 0.00200 1.00000 !! IFPAN FTMW !! aR-type !#scan9 1 0 1 0 2 0 0 0 0 1 0 0 7160.69161 0.00200 1.00000 1 0 1 0 0 0 0 0 0 1 0 0 7162.74980 0.00200 1.00000 2 1 2 0 2 1 1 1 0 1 0 0 13164.79629 0.00200 1.00E+00 ! #scan2 2 1 2 0 2 1 1 1 0 2 0 0 13165.34289 0.00200 1.00E+00 2 1 2 0 3 1 1 1 0 2 0 0 13166.23091 0.00200 1.00E+00 2 1 2 0 1 1 1 1 0 2 0 0 13166.72190 0.00200 1.00000 2 1 2 0 1 1 1 1 0 0 0 0 13167.53605 0.00200 1.00E+00 2 0 2 0 2 1 0 1 0 2 0 0 14168.95876 0.00200 1.00E+00 ! #scan1 2 0 2 0 1 1 0 1 0 0 0 0 14169.20157 0.00200 1.00E+00 2 0 2 0 2 1 0 1 0 1 0 0 14170.33136 0.00200 1.00E+00 2 0 2 0 3 1 0 1 0 2 0 0 14170.43909 0.00200 1.00E+00 2 0 2 0 1 1 0 1 0 2 0 0 14171.2573 0.00200 1.00E+00 #prvcn.078 2 0 2 0 1 1 0 1 0 1 0 0 14172.63034 0.00200 1.00E+00 2 1 1 0 2 1 1 0 0 1 0 0 15474.59229 0.00200 1.00E+00 ! #scan6 2 1 1 0 2 1 1 0 0 2 0 0 15475.41501 0.00200 1.00E+00 2 1 1 0 1 1 1 0 0 1 0 0 15475.49502 0.00200 1.00E+00 2 1 1 0 3 1 1 0 0 2 0 0 15476.00082 0.00200 1.00E+00 2 1 1 0 1 1 1 0 0 0 0 0 15477.56550 0.00200 1.00000 3 1 3 0 3 2 1 2 0 3 0 0 19659.0430 0.00200 1.00E+00 ! 3 1 3 0 4 2 1 2 0 3 0 0 19660.3457 0.00200 1.00E+00 3 1 3 0 2 2 1 2 0 2 0 0 19661.6865 0.00200 1.00E+00 1 1 1 0 0 0 0 0 0 1 0 0 13187.70291 0.00200 1.00E+00 !! bR-type ! #scan3 1 1 1 0 2 0 0 0 0 1 0 0 13188.52601 0.00200 1.00E+00 1 1 1 0 1 0 0 0 0 1 0 0 13189.07059 0.00200 1.00E+00 2 1 2 0 1 1 0 1 0 0 0 0 19192.4956 0.00200 1.00E+00 ! 2 1 2 0 2 1 0 1 0 2 0 0 19193.1748 0.00200 1.00E+00 2 1 2 0 3 1 0 1 0 2 0 0 19194.0625 0.00200 1.00E+00 2 1 2 0 2 1 0 1 0 1 0 0 19194.5469 0.00200 1.00E+00 2 1 2 0 1 1 0 1 0 1 0 0 19195.9238 0.00200 1.00E+00 2 0 2 0 2 1 1 1 0 1 0 0 8140.58062 0.00200 1.00E+00 ! #scan4 2 0 2 0 2 1 1 1 0 2 0 0 8141.12808 0.00200 1.00E+00 2 0 2 0 3 1 1 1 0 2 0 0 8142.60792 0.00200 1.00E+00 2 0 2 0 1 1 1 1 0 1 0 0 8142.87950 0.00200 1.00E+00 2 0 2 0 1 1 1 1 0 0 0 0 8144.24354 0.00200 1.00E+00 3 0 3 0 3 2 1 2 0 3 0 0 15870.16075 0.00200 1.00E+00 ! #scan7 3 0 3 0 3 2 1 2 0 2 0 0 15871.04926 0.00200 1.00E+00 3 0 3 0 2 2 1 2 0 2 0 0 15873.13869 0.00200 1.00E+00 1 1 0 0 1 1 0 1 0 0 0 0 7181.45738 0.00200 1.00000 !! bQ-type !#scan10 1 1 0 0 2 1 0 1 0 2 0 0 7182.68891 0.00200 1.00000 1 1 0 0 0 1 0 1 0 1 0 0 7182.81920 0.00200 1.00000 1 1 0 0 1 1 0 1 0 2 0 0 7183.51594 0.00200 1.00000 1 1 0 0 2 1 0 1 0 1 0 0 7184.06008 0.00200 1.00000 1 1 0 0 1 1 0 1 0 1 0 0 7184.88495 0.00200 1.00000 2 1 1 0 2 2 0 2 0 1 0 0 8486.84318 0.00200 1.00000 ! #scan5 2 1 1 0 2 2 0 2 0 3 0 0 8487.66002 0.00200 1.00000 2 1 1 0 1 2 0 2 0 1 0 0 8487.75031 0.00200 1.00000 2 1 1 0 3 2 0 2 0 3 0 0 8488.24934 0.00200 1.00000 2 1 1 0 2 2 0 2 0 2 0 0 8489.14252 0.00200 1.00000 2 1 1 0 3 2 0 2 0 2 0 0 8489.72753 0.00200 1.00000 2 1 1 0 1 2 0 2 0 2 0 0 8490.05033 0.00200 1.00000 3 1 2 0 3 3 0 3 0 2 0 0 10703.98515 0.00200 1.00E+00 ! #scan8 3 1 2 0 3 3 0 3 0 4 0 0 10704.52046 0.00200 1.00E+00 3 1 2 0 3 3 0 3 0 3 0 0 10706.07182 0.00200 1.00E+00 3 1 2 0 4 3 0 3 0 3 0 0 10707.06619 0.00200 1.00E+00 3 1 2 0 2 3 0 3 0 3 0 0 10707.40772 0.00200 1.00E+00 4 1 3 0 3 4 0 4 0 3 0 0 14047.32390 0.00200 1.00000 ! 4 1 3 0 5 4 0 4 0 5 0 0 14047.43160 0.00200 1.00000 4 1 3 0 4 4 0 4 0 4 0 0 14047.86000 0.00200 1.00000 2 2 0 0 1 2 1 1 0 1 0 0 18233.2959 0.00200 1.00E+00 ! 2 2 0 0 1 2 1 1 0 2 0 0 18234.2012 0.00200 1.00E+00 2 2 0 0 3 2 1 1 0 3 0 0 18234.4385 0.00200 1.00E+00 2 2 0 0 2 2 1 1 0 2 0 0 18236.5047 0.00200 1.00E+00 3 2 1 0 4 3 1 2 0 4 0 0 17189.08286 0.00200 1.00E+00 ! #scan15 3 2 1 0 3 3 1 2 0 3 0 0 17190.10191 0.00200 1.00E+00 4 2 2 0 3 4 1 3 0 3 0 0 16474.71871 0.00200 1.00E+00 ! #scan14 4 2 2 0 5 4 1 3 0 5 0 0 16474.86644 0.00200 1.00E+00 4 2 2 0 4 4 1 3 0 4 0 0 16475.45651 0.00200 1.00E+00 3 2 1 0 2 2 2 0 0 1 0 0 22067.92000 0.03000 1.000000 !! F.Scappini and H.Dreizler, Z.Naturforsch. 31a,840-846 (1976)! 3 2 1 0 3 2 2 0 0 2 0 0 22065.83000 0.03000 1.000000 3 2 1 0 4 2 2 0 0 3 0 0 22067.25000 0.03000 1.000000 3 1 3 0 4 2 0 2 0 3 0 0 24683.99000 0.03000 3.160000 ! 3 1 3 0 3 2 0 2 0 2 0 0 24683.99000 0.03000 2.190000 3 0 3 0 2 2 0 2 0 1 0 0 20895.26000 0.03000 1.700000 ! 3 0 3 0 3 2 0 2 0 2 0 0 20895.26000 0.03000 2.510000 3 0 3 0 4 2 0 2 0 3 0 0 20895.26000 0.03000 3.640000 3 2 2 0 3 2 2 1 0 2 0 0 21479.70000 0.03000 1.000000 ! 3 2 2 0 4 2 2 1 0 3 0 0 21481.27000 0.03000 1.000000 3 3 0 0 2 3 2 1 0 2 0 0 32391.38000 0.03000 4.590000 ! 3 3 0 0 4 3 2 1 0 4 0 0 32391.38000 0.03000 4.540000 3 3 0 0 3 3 2 1 0 3 0 0 32393.34000 0.03000 1.000000 3 3 1 0 2 3 2 2 0 2 0 0 33115.48000 0.03000 1.110000 ! 3 3 1 0 4 3 2 2 0 4 0 0 33115.48000 0.03000 2.100000 3 3 1 0 3 3 2 2 0 3 0 0 33117.50000 0.03000 1.000000 4 3 1 0 4 3 3 0 0 3 0 0 28980.30000 0.03000 1.000000 ! 4 3 1 0 5 3 3 0 0 4 0 0 28981.68000 0.03000 1.000000 4 3 2 0 4 3 3 1 0 3 0 0 28906.76000 0.03000 1.000000 ! 4 3 2 0 5 3 3 1 0 4 0 0 28908.16000 0.03000 1.000000 4 1 3 0 3 3 1 2 0 2 0 0 30610.34000 0.03000 9.960000 ! 4 1 3 0 4 3 1 2 0 3 0 0 30610.34000 0.03000 1.310000 4 1 3 0 5 3 1 2 0 4 0 0 30610.34000 0.03000 1.700000 4 0 4 0 3 3 0 3 0 2 0 0 27268.33000 0.03000 1.470000 ! 4 0 4 0 4 3 0 3 0 3 0 0 27268.33000 0.03000 1.940000 4 0 4 0 5 3 0 3 0 4 0 0 27268.33000 0.03000 2.520000 4 1 4 0 3 3 0 3 0 2 0 0 29852.88000 0.03000 1.150000 ! 4 1 4 0 4 3 0 3 0 3 0 0 29852.88000 0.03000 1.510000 4 1 4 0 5 3 0 3 0 4 0 0 29852.88000 0.03000 1.970000 4 0 4 0 3 3 1 3 0 2 0 0 23479.66000 0.03000 5.700000 ! 4 0 4 0 4 3 1 3 0 3 0 0 23479.66000 0.03000 7.460000 4 0 4 0 5 3 1 3 0 4 0 0 23479.66000 0.03000 9.730000 4 3 1 0 3 4 2 2 0 3 0 0 31476.94000 0.03000 5.160000 ! 4 3 1 0 5 4 2 2 0 5 0 0 31476.94000 0.03000 8.310000 4 3 1 0 4 4 2 2 0 4 0 0 31478.19000 0.03000 1.000000 4 3 2 0 3 4 2 3 0 3 0 0 33500.03000 0.03000 5.970000 ! 4 3 2 0 5 4 2 3 0 5 0 0 33500.03000 0.03000 9.610000 4 3 2 0 4 4 2 3 0 4 0 0 33501.21000 0.03000 1.000000 5 1 4 0 4 4 2 3 0 3 0 0 23529.36000 0.03000 2.330000 ! 5 1 4 0 6 4 2 3 0 5 0 0 23529.36000 0.03000 3.540000 5 1 4 0 5 4 2 3 0 4 0 0 23528.66000 0.03000 1.000000 6 1 5 0 5 6 0 6 0 5 0 0 24211.44000 0.03000 0.758000 ! 6 1 5 0 7 6 0 6 0 7 0 0 24211.44000 0.03000 1.040000 6 1 5 0 6 6 0 6 0 6 0 0 24211.74000 0.03000 1.000000 7 2 5 0 6 7 1 6 0 6 0 0 19939.53000 0.03000 3.270000 ! 7 2 5 0 7 7 1 6 0 7 0 0 19939.53000 0.03000 3.710000 7 2 5 0 8 7 1 6 0 8 0 0 19939.53000 0.03000 4.290000 7 1 6 0 6 7 0 7 0 6 0 0 30545.41000 0.03000 1.210000 ! 7 1 6 0 8 7 0 7 0 8 0 0 30545.41000 0.03000 1.590000 7 1 6 0 7 7 0 7 0 7 0 0 30545.72000 0.03000 1.000000 8 2 6 0 7 8 1 7 0 7 0 0 23716.82000 0.03000 2.770000 ! 8 2 6 0 8 8 1 7 0 8 0 0 23716.82000 0.03000 3.100000 8 2 6 0 9 8 1 7 0 9 0 0 23716.82000 0.03000 3.520000 8 3 5 0 7 8 2 6 0 7 0 0 25142.55000 0.03000 1.060000 ! 8 3 5 0 8 8 2 6 0 8 0 0 25142.55000 0.03000 1.190000 8 3 5 0 9 8 2 6 0 9 0 0 25142.55000 0.03000 1.350000 9 3 6 0 8 9 2 7 0 8 0 0 24901.74000 0.03000 4.680000 ! 9 3 6 0 9 9 2 7 0 9 0 0 24901.74000 0.03000 5.180000 9 3 6 0 10 9 2 7 0 10 0 0 24901.74000 0.03000 5.790000 9 2 7 0 8 9 1 8 0 8 0 0 28867.22000 0.03000 1.720000 ! 9 2 7 0 9 9 1 8 0 9 0 0 28867.22000 0.03000 1.900000 9 2 7 0 10 9 1 8 0 10 0 0 28867.22000 0.03000 2.130000 10 3 7 0 9 10 2 8 0 9 0 0 26012.16000 0.03000 2.630000 ! 10 3 7 0 10 10 2 8 0 10 0 0 26012.16000 0.03000 2.890000 10 3 7 0 11 10 2 8 0 11 0 0 26012.16000 0.03000 3.190000 11 3 8 0 10 11 2 9 0 10 0 0 28686.43000 0.03000 3.320000 ! 11 3 8 0 11 11 2 9 0 11 0 0 28686.43000 0.03000 3.610000 11 3 8 0 12 11 2 9 0 12 0 0 28686.43000 0.03000 3.960000 12 3 9 0 11 12 2 10 0 11 0 0 32987.37000 0.03000 4.320000 ! 12 3 9 0 12 12 2 10 0 12 0 0 32987.37000 0.03000 4.670000 12 3 9 0 13 12 2 10 0 13 0 0 32987.37000 0.03000 5.080000 25 1 24 1 25 24 1 23 1 24 0 0 158770.25510 0.05000 0.50000 !! IFPAN MMW!! A symmetry, aR-types Ka>0 ! 25 2 24 1 25 24 2 23 1 24 0 0 158770.25510 0.05000 0.50000 29 1 28 1 29 28 1 27 1 28 0 0 182775.74740 0.05000 0.50000 29 2 28 1 29 28 2 27 1 28 0 0 182775.74740 0.05000 0.50000 30 1 29 1 30 29 1 28 1 29 0 0 188776.94050 0.05000 0.50000 30 2 29 1 30 29 2 28 1 29 0 0 188776.94050 0.05000 0.50000 31 1 30 1 31 30 1 29 1 30 0 0 194778.01030 0.05000 0.50000 31 2 30 1 31 30 2 29 1 30 0 0 194778.01030 0.05000 0.50000 34 1 33 1 34 33 1 32 1 33 0 0 212780.22860 0.05000 1.00000 36 1 35 1 36 35 1 34 1 35 0 0 224780.72690 0.05000 1.00000 45 1 44 1 45 44 1 43 1 44 0 0 278771.00970 0.05000 1.00000 48 1 47 1 48 47 1 46 1 47 0 0 296762.54690 0.05000 1.00000 51 1 50 1 51 50 1 49 1 50 0 0 314751.12225 0.05000 1.00000 52 1 51 1 52 51 1 50 1 51 0 0 320746.58270 0.05000 1.00000 24 2 22 1 24 23 3 21 1 23 0 0 158578.76700 0.05000 1.00000 ! 24 3 22 1 24 23 3 21 1 23 0 0 158584.03570 0.05000 1.00000 24 2 22 1 24 23 2 21 1 23 0 0 158589.13120 0.05000 1.00000 24 3 22 1 24 23 2 21 1 23 0 0 158594.33190 0.05000 1.00000 28 3 26 1 28 27 3 25 1 27 0 0 182568.43700 0.05000 0.50000 28 2 26 1 28 27 2 25 1 27 0 0 182568.43700 0.05000 0.50000 29 3 27 1 29 28 3 26 1 28 0 0 188565.53600 0.05000 0.50000 29 2 27 1 29 28 2 26 1 28 0 0 188565.53600 0.05000 0.50000 30 3 28 1 30 29 3 27 1 29 0 0 194562.98340 0.05000 0.50000 30 2 28 1 30 29 2 27 1 29 0 0 194562.98340 0.05000 0.50000 33 3 31 1 33 32 3 30 1 32 0 0 212556.54790 0.05000 0.50000 33 2 31 1 33 32 2 30 1 32 0 0 212556.54790 0.05000 0.50000 34 2 33 1 34 33 2 32 1 33 0 0 212780.22860 0.05000 1.00000 35 2 33 1 35 34 2 32 1 34 0 0 224552.57610 0.05000 0.50000 35 3 33 1 35 34 3 32 1 34 0 0 224552.57610 0.05000 0.50000 44 2 42 1 44 43 2 41 1 43 0 0 278529.63670 0.05000 1.00000 47 2 45 1 47 46 2 44 1 46 0 0 296518.12220 0.05000 1.00000 50 2 48 1 50 49 2 47 1 49 0 0 314504.06293 0.05000 1.00000 51 2 49 1 51 50 2 48 1 50 0 0 320498.73590 0.05000 1.00000 23 3 20 1 23 22 3 19 1 22 0 0 158647.62980 0.05000 1.00000 ! 28 3 25 1 28 27 4 24 1 27 0 0 188421.88090 0.05000 1.00000 28 3 25 1 28 27 3 24 1 27 0 0 188437.67250 0.05000 1.00000 29 3 26 1 29 28 4 25 1 28 0 0 194412.60460 0.05000 1.00000 29 3 26 1 29 28 3 25 1 28 0 0 194420.81520 0.05000 1.00000 34 3 31 1 34 33 3 30 1 33 0 0 224366.83750 0.05000 0.50000 43 3 40 1 43 42 3 39 1 42 0 0 278308.43800 0.05000 1.00000 46 3 43 1 46 45 3 42 1 45 0 0 296289.92740 0.05000 1.00000 49 3 46 1 49 48 3 45 1 48 0 0 314269.96386 0.05000 1.00000 50 3 47 1 50 49 3 46 1 49 0 0 320262.89890 0.05000 1.00000 23 4 20 1 23 22 4 19 1 22 0 0 158486.34050 0.05000 1.00000 ! 24 4 21 1 24 23 4 20 1 23 0 0 164483.26840 0.05000 1.00000 26 4 22 1 26 25 4 21 1 25 0 0 182760.77050 0.05000 1.00000 27 4 23 1 27 26 4 22 1 26 0 0 188616.71690 0.05000 1.00000 28 4 25 1 28 27 4 24 1 27 0 0 188430.06290 0.05000 1.00000 28 4 24 1 28 27 4 23 1 27 0 0 194515.08560 0.05000 1.00000 28 4 25 1 28 27 3 24 1 27 0 0 188445.88010 0.05000 1.00000 29 4 26 1 29 28 4 25 1 28 0 0 194416.84890 0.05000 1.00000 29 4 26 1 29 28 3 25 1 28 0 0 194425.01700 0.05000 1.00000 31 4 27 1 31 30 4 26 1 30 0 0 212343.60250 0.05000 1.00000 33 4 29 1 33 32 4 28 1 32 0 0 224280.54750 0.05000 1.00000 34 4 31 1 34 33 4 30 1 33 0 0 224366.83750 0.05000 0.50000 42 4 38 1 42 41 4 37 1 41 0 0 278129.55750 0.05000 0.50000 45 4 41 1 45 44 4 40 1 44 0 0 296095.40340 0.05000 0.50000 48 4 44 1 48 47 4 43 1 47 0 0 314063.15146 0.05000 1.00000 49 4 45 1 49 48 4 44 1 48 0 0 320052.50450 0.05000 1.00000 21 5 16 1 21 20 5 15 1 20 0 0 161855.54680 0.05000 1.00000 ! 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