Supplementary Table 6. The results of the fit of formamide 18O isotopically substituted species lines. -------------------------------------------------------------------------------------========= obs o-c error blends Notes J" Ka"Kc" F" J' Ka'Kc' F' o-c wt -------------------------------------------------------------------------------------========= 1: 3 1 3 2 2 1 2 1 58314.1360 -0.0220 0.030 0.0483 0.22 2: 3 1 3 3 2 1 2 2 58314.1360 -0.0585 0.030 0.0483 0.32 3: 3 1 3 4 2 1 2 3 58314.1360 0.1551 0.030 0.0483 0.46 4: 3 0 3 3 2 0 2 2 60341.2920 -0.0102 0.030 0.0033 0.32 5: 3 0 3 2 2 0 2 1 60341.2920 -0.0671 0.030 0.0033 0.22 6: 3 0 3 4 2 0 2 3 60341.2920 0.0456 0.030 0.0033 0.46 7: 3 1 2 4 2 1 1 3 62530.9750 0.0065 0.030 -0.0025 0.46 8: 3 1 2 3 2 1 1 2 62530.9750 -0.1396 0.030 -0.0025 0.32 9: 3 1 2 2 2 1 1 1 62530.9750 0.1814 0.030 -0.0025 0.22 10: 4 1 4 5 3 1 3 4 77724.0910 0.0625 0.010 0.0008 0.43 11: 4 1 4 3 3 1 3 2 77724.0910 -0.0430 0.010 0.0008 0.25 12: 4 1 4 4 3 1 3 3 77724.0910 -0.0464 0.010 0.0008 0.33 13: 4 0 4 3 3 0 3 3 80341.8380 -0.0030 0.030 14: 4 0 4 5 3 0 3 4 80342.7720 0.0355 0.010 0.0038 0.43 15: 4 0 4 3 3 0 3 2 80342.7720 -0.0141 0.010 0.0038 0.25 16: 4 0 4 4 3 0 3 3 80342.7720 -0.0239 0.010 0.0038 0.33 17: 4 0 4 4 3 0 3 4 80343.5060 0.0100 0.030 18: 4 2 3 5 3 2 2 4 80565.4300 -0.0252 0.010 0.0004 0.63 19: 4 2 3 3 3 2 2 2 80565.4300 0.0441 0.010 0.0004 0.37 20: 4 2 3 4 3 2 2 3 80565.7290 0.0041 0.010 21: 4 3 2 3 3 3 1 2 80633.8190 0.1837 0.050 0.0440 0.37 22: 4 3 2 5 3 3 1 4 80633.8190 -0.0376 0.050 0.0440 0.63 23: 4 3 2 4 3 3 1 3 80634.5000 0.0768 0.050 24: 4 3 1 3 3 3 0 2 80635.2620 0.0944 0.050 -0.0452 0.37 25: 4 3 1 5 3 3 0 4 80635.2620 -0.1267 0.050 -0.0452 0.63 26: 4 3 1 4 3 3 0 3 80635.9500 -0.0046 0.050 27: 4 2 2 5 3 2 1 4 80804.6750 -0.0155 0.030 0.0076 0.63 28: 4 2 2 3 3 2 1 2 80804.6750 0.0472 0.030 0.0076 0.37 29: 4 2 2 4 3 2 1 3 80804.9190 0.0036 0.030 30: 4 1 3 5 3 1 2 4 83345.1350 0.0051 0.010 -0.0017 0.43 31: 4 1 3 4 3 1 2 3 83345.1350 -0.0612 0.010 -0.0017 0.33 32: 4 1 3 3 3 1 2 2 83345.1350 0.0646 0.010 -0.0017 0.25 33: 7 1 6 7 7 0 7 7 83791.1650 0.0299 0.030 34: 7 1 6 6 7 0 7 6 83792.4940 -0.0912 0.030 0.0125 0.43 35: 7 1 6 8 7 0 7 8 83792.4940 0.0915 0.030 0.0125 0.57 36: 18 2 16 18 18 2 17 18 87904.9050 0.0107 0.030 37: 18 2 16 19 18 2 17 19 87906.1340 0.0207 0.030 -0.0113 0.53 38: 18 2 16 17 18 2 17 17 87906.1340 -0.0470 0.030 -0.0113 0.47 39: 8 1 7 8 8 0 8 8 90856.9390 -0.0011 0.030 40: 8 1 7 7 8 0 8 7 90858.3280 -0.1048 0.030 -0.0114 0.44 41: 8 1 7 9 8 0 8 9 90858.3280 0.0620 0.030 -0.0114 0.56 42: 7 0 7 7 6 1 6 6 91304.1720 0.0120 0.030 43: 7 0 7 8 6 1 6 7 91304.8980 0.0506 0.030 -0.0093 0.57 44: 7 0 7 6 6 1 6 5 91304.8980 -0.0896 0.030 -0.0093 0.43 45: 11 1 10 10 11 1 11 10 91979.4680 -0.1038 0.050 -0.0047 0.46 46: 11 1 10 12 11 1 11 12 91979.4680 0.0784 0.050 -0.0047 0.54 47: 5 1 5 4 4 1 4 3 97110.8560 -0.0269 0.010 0.0001 0.27 48: 5 1 5 5 4 1 4 4 97110.8560 -0.0289 0.010 0.0001 0.33 49: 5 1 5 6 4 1 4 5 97110.8560 0.0414 0.010 0.0001 0.40 50: 9 1 8 9 9 0 9 9 99177.7370 -0.0196 0.030 51: 9 1 8 8 9 0 9 8 99179.2160 -0.0833 0.030 0.0025 0.45 52: 9 1 8 10 9 0 9 10 99179.2160 0.0717 0.030 0.0025 0.55 53: 5 0 5 4 4 0 4 3 100249.0530 0.0009 0.010 -0.0011 0.27 54: 5 0 5 6 4 0 4 5 100249.0530 0.0280 0.010 -0.0011 0.40 55: 5 0 5 5 4 0 4 4 100249.0530 -0.0385 0.010 -0.0011 0.33 56: 5 2 4 4 4 2 3 3 100675.6950 0.0589 0.010 -0.0006 0.27 57: 5 2 4 6 4 2 3 5 100675.6950 0.0435 0.010 -0.0006 0.40 58: 5 2 4 5 4 2 3 4 100675.6950 -0.1030 0.010 -0.0006 0.33 59: 5 4 1 4 4 4 0 3 100789.8580 -0.0257 0.010 -0.0167 0.50 60: 5 4 2 4 4 4 1 3 100789.8580 -0.0077 0.010 -0.0167 0.50 61: 5 4 1 6 4 4 0 5 100790.0250 -0.0133 0.010 -0.0043 0.50 62: 5 4 2 6 4 4 1 5 100790.0250 0.0047 0.010 -0.0043 0.50 63: 5 4 2 5 4 4 1 4 100790.5440 0.0090 0.010 0.0000 0.50 64: 5 4 1 5 4 4 0 4 100790.5440 -0.0090 0.010 0.0000 0.50 65: 5 3 2 4 4 3 1 3 100817.2240 0.0440 0.010 0.0006 0.40 66: 5 3 2 6 4 3 1 5 100817.2240 -0.0280 0.010 0.0006 0.60 67: 5 3 2 5 4 3 1 4 100817.5230 -0.0172 0.010 68: 5 2 3 4 4 2 2 3 101152.8140 0.0400 0.010 0.0036 0.27 69: 5 2 3 5 4 2 2 4 101152.8140 -0.0593 0.010 0.0036 0.33 70: 5 2 3 6 4 2 2 5 101152.8140 0.0308 0.010 0.0036 0.40 71: 19 2 17 19 19 2 18 19 103945.1880 -0.0069 0.030 72: 19 2 17 18 19 2 18 18 103946.4990 -0.0272 0.030 0.0078 0.47 73: 19 2 17 20 19 2 18 20 103946.4990 0.0394 0.030 0.0078 0.53 74: 5 1 4 4 4 1 3 3 104133.2320 0.0365 0.010 0.0012 0.27 75: 5 1 4 5 4 1 3 4 104133.2320 -0.0346 0.010 0.0012 0.33 76: 5 1 4 6 4 1 3 5 104133.2320 0.0071 0.010 0.0012 0.40 77: 10 1 9 10 10 0 10 10 108840.1430 -0.0163 0.030 78: 10 1 9 11 10 0 10 11 108841.6850 0.0761 0.030 0.0103 0.55 79: 10 1 9 9 10 0 10 9 108841.6850 -0.0695 0.030 0.0103 0.45 80: 8 0 8 8 7 1 7 7 114705.5780 0.0085 0.030 81: 8 0 8 7 7 1 7 6 114706.2530 -0.0696 0.030 -0.0065 0.44 82: 8 0 8 9 7 1 7 8 114706.2530 0.0425 0.030 -0.0065 0.56 83: 6 1 6 6 5 1 5 5 116469.5080 -0.0242 0.010 -0.0020 0.33 84: 6 1 6 5 5 1 5 4 116469.5080 -0.0188 0.010 -0.0020 0.28 85: 6 1 6 7 5 1 5 6 116469.5080 0.0286 0.010 -0.0020 0.39 86: 6 4 3 7 5 4 2 6 120963.7990 0.0306 0.030 0.0169 0.29 87: 6 4 2 7 5 4 1 6 120963.7990 -0.0505 0.030 0.0169 0.29 88: 6 4 2 5 5 4 1 4 120963.7990 0.0143 0.030 0.0169 0.21 89: 6 4 3 5 5 4 2 4 120963.7990 0.0955 0.030 0.0169 0.21 90: 6 4 3 6 5 4 2 5 120964.1110 0.0439 0.030 0.0034 0.50 91: 6 4 2 6 5 4 1 5 120964.1110 -0.0372 0.030 0.0034 0.50 92: 6 2 4 5 5 2 3 4 121595.9330 0.0122 0.030 0.0074 0.28 93: 6 2 4 6 5 2 3 5 121595.9330 -0.0082 0.030 0.0074 0.33 94: 6 2 4 7 5 2 3 6 121595.9330 0.0171 0.030 0.0074 0.39 95: 6 1 5 6 5 1 4 5 124887.7780 -0.0354 0.030 -0.0082 0.33 96: 6 1 5 7 5 1 4 6 124887.7780 -0.0020 0.030 -0.0082 0.39 97: 6 1 5 5 5 1 4 4 124887.7780 0.0157 0.030 -0.0082 0.28 98: 7 1 7 8 6 1 6 7 135795.7750 0.0182 0.010 -0.0063 0.38 99: 7 1 7 6 6 1 6 5 135795.7750 -0.0165 0.010 -0.0063 0.29 100: 7 1 7 7 6 1 6 6 135795.7750 -0.0259 0.010 -0.0063 0.33 101: 9 0 9 9 8 1 8 8 138163.5950 -0.0002 0.050 102: 9 0 9 10 8 1 8 9 138164.2240 0.0445 0.050 0.0045 0.56 103: 9 0 9 8 8 1 8 7 138164.2240 -0.0455 0.050 0.0045 0.44 104: 7 0 7 8 6 0 6 7 139692.6830 0.0281 0.010 -0.0023 0.38 105: 7 0 7 6 6 0 6 5 139692.6830 0.0180 0.010 -0.0023 0.29 106: 7 0 7 7 6 0 6 6 139692.6830 -0.0549 0.010 -0.0023 0.33 107: 7 2 6 7 6 2 5 6 140829.5750 -0.0413 0.010 0.0020 0.33 108: 7 2 6 8 6 2 5 7 140829.5750 0.0246 0.010 0.0020 0.38 109: 7 2 6 6 6 2 5 5 140829.5750 0.0216 0.010 0.0020 0.29 110: 7 6 2 8 6 6 1 7 141112.4210 -0.0290 0.010 0.0084 0.29 111: 7 6 2 6 6 6 1 5 141112.4210 0.0586 0.010 0.0084 0.21 112: 7 6 1 6 6 6 0 5 141112.4210 0.0586 0.010 0.0084 0.21 113: 7 6 1 8 6 6 0 7 141112.4210 -0.0290 0.010 0.0084 0.29 114: 7 6 2 7 6 6 1 6 141112.8700 -0.0052 0.010 -0.0052 0.50 115: 7 6 1 7 6 6 0 6 141112.8700 -0.0052 0.010 -0.0052 0.50 116: 7 5 3 6 6 5 2 5 141120.1940 0.0411 0.010 0.0086 0.21 117: 7 5 2 6 6 5 1 5 141120.1940 0.0401 0.010 0.0086 0.21 118: 7 5 3 8 6 5 2 7 141120.1940 -0.0148 0.010 0.0086 0.29 119: 7 5 2 8 6 5 1 7 141120.1940 -0.0158 0.010 0.0086 0.29 120: 7 5 3 7 6 5 2 6 141120.5010 -0.0030 0.010 -0.0036 0.50 121: 7 5 2 7 6 5 1 6 141120.5010 -0.0040 0.010 -0.0036 0.50 122: 7 3 5 8 6 3 4 7 141203.7320 0.0411 0.010 0.0099 0.38 123: 7 3 5 6 6 3 4 5 141203.7320 0.0509 0.010 0.0099 0.29 124: 7 3 5 7 6 3 4 6 141203.7320 -0.0616 0.010 0.0099 0.33 125: 7 3 4 7 6 3 3 6 141235.8030 -0.0652 0.010 0.0037 0.33 126: 7 3 4 8 6 3 3 7 141235.8030 0.0337 0.010 0.0037 0.38 127: 7 3 4 6 6 3 3 5 141235.8030 0.0430 0.010 0.0037 0.29 128: 7 2 5 8 6 2 4 7 142148.4240 0.0024 0.010 0.0038 0.38 129: 7 2 5 6 6 2 4 5 142148.4240 -0.0062 0.010 0.0038 0.29 130: 7 2 5 7 6 2 4 6 142148.4240 0.0139 0.010 0.0038 0.33 131: 7 1 6 7 6 1 5 6 145600.6740 -0.0261 0.010 -0.0017 0.33 132: 7 1 6 6 6 1 5 5 145600.6740 0.0173 0.010 -0.0017 0.29 133: 7 1 6 8 6 1 5 7 145600.6740 0.0051 0.010 -0.0017 0.38 134: 10 2 8 9 9 2 7 8 204526.8120 -0.0473 0.050 -0.0226 0.30 135: 10 2 8 11 9 2 7 10 204526.8120 -0.0394 0.050 -0.0226 0.37 136: 10 2 8 10 9 2 7 9 204526.8120 0.0185 0.050 -0.0226 0.33 137: 10 1 9 11 9 1 8 10 207395.6920 0.0254 0.030 0.0147 0.37 138: 10 1 9 9 9 1 8 8 207395.6920 0.0317 0.030 0.0147 0.30 139: 10 1 9 10 9 1 8 9 207395.6920 -0.0125 0.030 0.0147 0.33 140: 11 0 11 10 10 0 10 9 216772.7580 0.0137 0.030 -0.0181 0.30 141: 11 0 11 12 10 0 10 11 216772.7580 0.0162 0.030 -0.0181 0.36 142: 11 0 11 11 10 0 10 10 216772.7580 -0.0849 0.030 -0.0181 0.33 143: 11 2 10 12 10 2 9 11 220758.1350 0.0266 0.030 0.0137 0.36 144: 11 2 10 10 10 2 9 9 220758.1350 0.0234 0.030 0.0137 0.30 145: 11 2 10 11 10 2 9 10 220758.1350 -0.0094 0.030 0.0137 0.33 146: 11 8 3 12 10 8 2 11 221789.3290 0.0371 0.050 -0.0215 0.18 147: 11 8 4 10 10 8 3 9 221789.3290 0.0600 0.050 -0.0215 0.15 148: 11 8 3 10 10 8 2 9 221789.3290 0.0600 0.050 -0.0215 0.15 149: 11 8 4 11 10 8 3 10 221789.3290 -0.1603 0.050 -0.0215 0.17 150: 11 8 3 11 10 8 2 10 221789.3290 -0.1603 0.050 -0.0215 0.17 151: 11 8 4 12 10 8 3 11 221789.3290 0.0371 0.050 -0.0215 0.18 152: 11 7 5 11 10 7 4 10 221793.9100 -0.0864 0.050 0.0191 0.17 153: 11 7 4 12 10 7 3 11 221793.9100 0.0642 0.050 0.0191 0.18 154: 11 7 4 10 10 7 3 9 221793.9100 0.0803 0.050 0.0191 0.15 155: 11 7 4 11 10 7 3 10 221793.9100 -0.0864 0.050 0.0191 0.17 156: 11 7 5 10 10 7 4 9 221793.9100 0.0803 0.050 0.0191 0.15 157: 11 7 5 12 10 7 4 11 221793.9100 0.0642 0.050 0.0191 0.18 158: 11 5 7 11 10 5 6 10 221869.6070 -0.0231 0.050 -0.0171 0.17 159: 11 5 6 10 10 5 5 9 221869.6070 -0.0338 0.050 -0.0171 0.15 160: 11 5 6 11 10 5 5 10 221869.6070 -0.1129 0.050 -0.0171 0.17 161: 11 5 6 12 10 5 5 11 221869.6070 -0.0388 0.050 -0.0171 0.18 162: 11 5 7 10 10 5 6 9 221869.6070 0.0559 0.050 -0.0171 0.15 163: 11 5 7 12 10 5 6 11 221869.6070 0.0509 0.050 -0.0171 0.18 164: 11 4 8 10 10 4 7 9 221985.8530 0.0326 0.050 0.0177 0.30 165: 11 4 8 12 10 4 7 11 221985.8530 0.0318 0.050 0.0177 0.36 166: 11 4 8 11 10 4 7 10 221985.8530 -0.0115 0.050 0.0177 0.33 167: 11 4 7 11 10 4 6 10 221993.5090 -0.0467 0.050 -0.0179 0.33 168: 11 4 7 10 10 4 6 9 221993.5090 -0.0031 0.050 -0.0179 0.30 169: 11 4 7 12 10 4 6 11 221993.5090 -0.0038 0.050 -0.0179 0.36 170: 11 2 9 11 10 2 8 10 225544.7270 0.0386 0.050 -0.0048 0.33 171: 11 2 9 12 10 2 8 11 225544.7270 -0.0233 0.050 -0.0048 0.36 172: 11 2 9 10 10 2 8 9 225544.7270 -0.0302 0.050 -0.0048 0.30 173: 12 5 7 12 11 5 6 11 242077.6020 -0.1649 0.050 -0.0245 0.17 174: 12 5 7 13 11 5 6 12 242077.6020 -0.1092 0.050 -0.0245 0.18 175: 12 5 7 11 11 5 6 10 242077.6020 -0.1066 0.050 -0.0245 0.15 176: 12 5 8 12 11 5 7 11 242077.6020 0.0400 0.050 -0.0245 0.17 177: 12 5 8 13 11 5 7 12 242077.6020 0.0957 0.050 -0.0245 0.18 178: 12 5 8 11 11 5 7 10 242077.6020 0.0983 0.050 -0.0245 0.15 -------------------------------------------------------------------------------- CONSTANTS IN FIT: 10000 A /MHz 71899.83(13) 1 20000 B /MHz 10775.9579(19) 2 30000 C /MHz 9370.0017(18) 3 200 DJ /kHz 7.2273(40) 4 1100 DJK /kHz -67.457(37) 5 2000 DK /kHz 1340.(140) 6 40100 dJ /kHz 1.3844(24) 7 41000 dK /kHz 32.8(11) 8 300 HJ /Hz [ 0.] 9 1200 HJK /Hz [ 0.] 10 2100 HKJ /Hz -4.89(90) 11 3000 HK /Hz [ 0.] 12 40200 hJ /Hz [ 0.] 13 41100 hJK /Hz [ 0.] 14 42000 hK /Hz [ 0.] 15 110010000 1.5X.aa /MHz 2.910(35) 16 110040000 0.25(X.bb- /MHz 1.421(16) 17 MICROWAVE AVG = 0.001336 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.016741 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.55676 0.55676 distinct frequency lines in fit: 72 distinct constants in fit: 11 for standard errors previous errors are multiplied by: 0.604880 CONSTANTS IN FIT WITH STANDARD ERRORS ON FITTED CONSTANTS: 10000 A /MHz 71899.837(80) 1 20000 B /MHz 10775.9579(11) 2 30000 C /MHz 9370.0017(11) 3 200 DJ /kHz 7.2273(24) 4 1100 DJK /kHz -67.457(22) 5 2000 DK /kHz 1340.(84) 6 40100 dJ /kHz 1.3844(14) 7 41000 dK /kHz 32.85(68) 8 300 HJ /Hz [ 0.] 9 1200 HJK /Hz [ 0.] 10 2100 HKJ /Hz -4.89(54) 11 3000 HK /Hz [ 0.] 12 40200 hJ /Hz [ 0.] 13 41100 hJK /Hz [ 0.] 14 42000 hK /Hz [ 0.] 15 110010000 1.5X.aa /MHz 2.910(21) 16 110040000 0.25(X.bb- /MHz 1.421(10) 17 CORRELATION COEFFICIENTS, C.ij: A B C -DJ -DJK -DK -dJ -dK A 1.0000 B 0.9362 1.0000 C -0.9333 -0.9212 1.0000 -DJ -0.2788 -0.5147 0.2615 1.0000 -DJK 0.0045 -0.0111 -0.1769 -0.0700 1.0000 -DK -0.9964 -0.9458 0.9482 0.2904 -0.0323 1.0000 -dJ 0.7333 0.8099 -0.8161 -0.5227 0.2395 -0.7371 1.0000 -dK -0.9446 -0.9657 0.9668 0.4278 -0.1179 0.9523 -0.9014 1.0000 HKJ 0.1886 0.2677 -0.0878 -0.2267 -0.8607 -0.1696 0.1165 -0.1720 1.5X.aa 0.0128 0.0048 -0.0175 0.0302 -0.0525 -0.0112 0.0086 -0.0113 0.25(X.bb- -0.0542 -0.0640 0.0683 0.0840 -0.0540 0.0602 -0.1305 0.0930 HKJ 1.5X.aa 0.25(X.b HKJ 1.0000 1.5X.aa 0.0171 0.0000 0.25(X.bb- -0.0011 -0.0134 0.0000 Mean value of |C.ij|, i.ne.j = 0.3515 Mean value of C.ij, i.ne.j = -0.0780 Worst fitting lines (obs-calc/error): 67: -1.7 59: -1.7 1: 1.6 23: 1.5 33: 1.0 122: 1.0 24: -0.9 21: 0.9 116: 0.9 110: 0.8 50: -0.7 98: -0.6 140: -0.6 86: 0.6 77: -0.5 114: -0.5 137: 0.5 173: -0.5 143: 0.5 134: -0.5 61: -0.4 146: -0.4 34: 0.4 20: 0.4 42: 0.4 14: 0.4 152: 0.4 40: -0.4 128: 0.4 37: -0.4 125: 0.4 68: 0.4 167: -0.4 36: 0.4 120: -0.4 164: 0.4 78: 0.3 158: -0.3 17: 0.3 43: -0.3 80: 0.3 95: -0.3 72: 0.3 27: 0.3 92: 0.2 71: -0.2 104: -0.2 81: -0.2 83: -0.2 107: 0.2 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM