(H2 18O)(HCl)2 Mon Mar 14 10:13:01 2011 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! 1: 3 0 3 1 3 2 1 2 2 2 8156.6952 0.0151 0.010 2: 3 0 3 2 4 2 1 2 2 3 8157.8183 -0.0028 0.010 3: 3 0 3 3 5 2 1 2 3 4 8158.6493 0.0027 0.010 4: 3 0 3 3 6 2 1 2 3 5 8159.9733 0.0212 0.010 5: 3 0 3 2 5 2 1 2 2 4 8163.1267 -0.0082 0.010 ! 6: 2 1 2 2 3 1 0 1 3 2 8553.0838 -0.0004 0.010 7: 2 1 2 3 4 1 0 1 2 3 8554.4134 -0.0100 0.010 8: 2 1 2 3 4 1 0 1 3 4 8557.7169 -0.0023 0.010 9: 2 1 2 2 4 1 0 1 2 3 8560.4152 -0.0020 0.010 10: 2 1 2 1 3 1 0 1 1 2 8565.2161 0.0088 0.010 11: 2 1 2 3 4 1 0 1 3 3 8567.2456 -0.0046 0.010 12: 2 1 2 3 5 1 0 1 3 4 8567.6887 -0.0024 0.010 13: 2 1 2 3 3 1 0 1 2 2 8568.1573 -0.0062 0.010 14: 2 1 2 2 2 1 0 1 0 1 8572.0633 -0.0020 0.010 15: 2 1 2 2 3 1 0 1 3 3 8573.2510 -0.0065 0.010 16: 2 1 2 2 1 1 0 1 2 1 8574.0362 0.0176 0.010 17: 2 1 2 3 2 1 0 1 2 2 8576.1321 0.0104 0.010 ! 18: 3 2 2 3 6 3 1 3 3 6 9962.5310 0.0048 0.010 19: 3 2 2 2 5 3 1 3 2 5 9967.5133 0.0125 0.010 ! 20: 3 1 3 3 5 2 0 2 3 5 11076.0466 -0.0095 0.010 21: 3 1 3 2 5 2 0 2 2 4 11080.4379 -0.0079 0.010 22: 3 1 3 3 4 2 0 2 1 3 11081.9308 0.0083 0.010 0.0083 0.50 23: 3 1 3 3 4 2 0 2 1 3 11081.9308 0.0083 0.010 0.0083 0.50 24: 3 1 3 1 4 2 0 2 2 3 11082.3969 -0.0004 0.010 25: 3 1 3 1 3 2 0 2 0 2 11082.6219 -0.0083 0.010 26: 3 1 3 2 3 2 0 2 2 2 11083.8174 -0.0112 0.010 -0.0249 0.50 27: 3 1 3 2 4 2 0 2 3 3 11083.8174 -0.0385 0.010 -0.0249 0.50 28: 3 1 3 3 5 2 0 2 3 4 11086.6460 0.0030 0.010 29: 3 1 3 3 6 2 0 2 3 5 11087.2507 -0.0032 0.010 30: 3 1 3 0 3 2 0 2 1 2 11090.0920 0.0038 0.010 ! 31: 4 2 3 1 4 4 1 4 1 4 11402.7978 0.0103 0.010 32: 4 2 3 3 7 4 1 4 3 7 11404.9240 -0.0050 0.010 33: 4 2 3 2 5 4 1 4 1 5 11410.3762 -0.0165 0.010 34: 4 2 3 1 5 4 1 4 3 5 11418.6991 0.0003 0.010 ! 35: 4 0 4 2 5 3 1 3 2 4 11643.8545 0.0033 0.010 36: 4 0 4 1 4 3 1 3 0 3 11644.4018 -0.0076 0.010 37: 4 0 4 3 4 3 1 3 3 3 11644.5258 0.0089 0.010 38: 4 0 4 3 6 3 1 3 3 5 11644.9844 -0.0092 0.010 39: 4 0 4 2 4 3 1 3 2 3 11645.6426 0.0420 0.010 0.0022 0.33 40: 4 0 4 3 7 3 1 3 3 6 11645.6426 -0.0175 0.010 0.0022 0.67 41: 4 0 4 3 5 3 1 3 3 4 11646.0377 -0.0141 0.010 42: 4 0 4 1 5 3 1 3 1 4 11646.7444 -0.0003 0.010 43: 4 0 4 2 6 3 1 3 2 5 11647.2304 -0.0043 0.010 ! 44: 4 1 4 1 3 3 0 3 2 2 13475.0271 0.0392 0.010 0.0207 0.36 45: 4 1 4 3 3 3 0 3 3 2 13475.0271 0.0104 0.010 0.0207 0.64 46: 4 1 4 3 4 3 0 3 3 3 13475.6144 0.0040 0.010 47: 4 1 4 3 5 3 0 3 3 4 13476.3574 0.0006 0.010 48: 4 1 4 2 6 3 0 3 2 5 13476.7481 -0.0011 0.010 49: 4 1 4 0 4 3 0 3 0 3 13480.0119 0.0120 0.010 50: 4 1 4 2 5 3 0 3 2 4 13480.3358 0.0036 0.010 51: 4 1 4 3 6 3 0 3 3 5 13480.9729 0.0095 0.010 52: 4 1 4 3 7 3 0 3 3 6 13481.6871 -0.0027 0.010 53: 4 1 4 1 4 3 0 3 1 3 13483.3892 -0.0034 0.010 ! 54: 2 2 1 2 3 1 1 0 1 2 14488.5582 0.0120 0.010 55: 2 2 1 3 3 1 1 0 3 3 14489.2588 0.0004 0.010 56: 2 2 1 2 4 1 1 0 2 3 14491.9242 -0.0053 0.010 57: 2 2 1 2 3 1 1 0 2 3 14493.1513 0.0037 0.010 58: 2 2 1 2 4 1 1 0 3 4 14494.7142 -0.0023 0.010 59: 2 2 1 2 2 1 1 0 0 1 14497.3893 -0.0094 0.010 60: 2 2 1 3 4 1 1 0 3 3 14497.6597 -0.0050 0.010 61: 2 2 1 3 5 1 1 0 3 4 14498.6167 0.0071 0.010 62: 2 2 1 1 3 1 1 0 1 2 14500.1594 0.0038 0.010 63: 2 2 1 1 2 1 1 0 1 1 14502.1235 0.0070 0.010 64: 2 2 1 1 3 1 1 0 2 2 14504.7383 -0.0221 0.010 65: 2 2 1 3 4 1 1 0 2 3 14506.0403 -0.0016 0.010 66: 2 2 1 3 3 1 1 0 3 2 14507.8196 -0.0102 0.010 67: 2 2 1 3 3 1 1 0 3 2 14507.8203 -0.0095 0.010 68: 2 2 1 3 4 1 1 0 3 4 14508.8387 0.0097 0.010 69: 2 2 1 3 4 1 1 0 3 4 14508.8400 0.0110 0.010 ! 70: 5 0 5 2 4 4 1 4 2 3 14895.4741 -0.0150 0.010 71: 5 0 5 0 5 4 1 4 0 4 14896.7750 -0.0043 0.010 -0.0082 0.43 72: 5 0 5 3 7 4 1 4 3 6 14896.7750 -0.0111 0.010 -0.0082 0.57 73: 5 0 5 3 8 4 1 4 3 7 14897.1345 0.0007 0.010 74: 5 0 5 1 6 4 1 4 1 5 14897.3263 0.0171 0.010 75: 5 0 5 2 7 4 1 4 2 6 14897.4587 -0.0040 0.010 ! 76: 2 2 0 2 3 1 1 1 3 2 15271.0606 -0.0014 0.010 77: 2 2 0 1 2 1 1 1 1 1 15273.2851 0.0012 0.010 78: 2 2 0 0 2 1 1 1 1 2 15273.8231 -0.0064 0.010 79: 2 2 0 2 4 1 1 1 2 3 15278.4282 0.0128 0.010 80: 2 2 0 1 3 1 1 1 3 2 15282.1816 -0.0037 0.010 81: 2 2 0 3 5 1 1 1 3 4 15282.8911 0.0077 0.010 82: 2 2 0 3 3 1 1 1 1 2 15284.8222 0.0026 0.010 83: 2 2 0 3 2 1 1 1 0 1 15286.2153 -0.0147 0.010 84: 2 2 0 2 4 1 1 1 3 3 15291.4098 0.0101 0.010 85: 2 2 0 1 3 1 1 1 1 2 15292.2718 0.0032 0.010 86: 2 2 0 3 4 1 1 1 3 4 15293.4796 -0.0126 0.010 87: 2 2 0 2 3 1 1 1 2 2 15294.4403 0.0113 0.010 88: 2 2 0 1 3 1 1 1 3 3 15303.1916 0.0087 0.010 ! 89: 5 1 5 3 6 4 0 4 3 5 15912.2887 -0.0015 0.010 90: 5 1 5 2 7 4 0 4 2 6 15912.9373 -0.0065 0.010 -0.0017 0.59 91: 5 1 5 2 5 4 0 4 2 4 15912.9373 0.0052 0.010 -0.0017 0.41 92: 5 1 5 2 6 4 0 4 2 5 15915.2532 0.0029 0.010 0.0055 0.67 93: 5 1 5 2 3 4 0 4 2 2 15915.2532 0.0105 0.010 0.0055 0.33 94: 5 1 5 3 7 4 0 4 3 6 15915.4770 0.0031 0.010 95: 5 1 5 3 8 4 0 4 3 7 15916.0883 0.0057 0.010 96: 5 1 5 1 5 4 0 4 1 4 15916.8024 -0.0083 0.010 ! 97: 3 2 2 3 5 2 1 1 3 4 17287.8309 0.0077 0.010 98: 3 2 2 3 4 2 1 1 1 3 17288.9133 0.0098 0.010 99: 3 2 2 1 4 2 1 1 3 3 17296.5075 -0.0031 0.010 100: 3 2 2 0 3 2 1 1 1 2 17297.9613 -0.0237 0.010 101: 3 2 2 3 6 2 1 1 3 5 17298.7327 0.0038 0.010 102: 3 2 2 2 4 2 1 1 2 3 17300.8317 -0.0034 0.010 103: 3 2 2 2 5 2 1 1 2 4 17301.9054 -0.0041 0.010 104: 3 2 2 2 3 2 1 1 3 2 17308.1914 -0.0031 0.010 0.0002 0.54 105: 3 2 2 1 3 2 1 1 3 2 17308.1914 0.0041 0.010 0.0002 0.46 -------------------------------------------------------------------------------- PARAMETERS IN FIT: 10000 A /MHz 4366.1667(36) 1 20000 B /MHz 2064.58178(96) 2 30000 C /MHz 1399.61390(64) 3 200 DJ /kHz 3.475(17) 4 1100 DJK /kHz 5.77(14) 5 2000 DK /kHz 19.27(63) 6 40100 dJ /kHz [ 1.083] 7 41000 dK /kHz [ 9.488] 8 110010000 1.5*Xaa /MHz -64.674(19) 9 110040000 (Xb-Xc)/4 /MHz -3.3512(84) 10 110610000 chiab /MHz [26.76] 11 220010000 1.5*Xaa /MHz 27.306(26) 12 220040000 (Xb-Xc)/4 /MHz -18.3564(56) 13 220610000 chiab /MHz [21.15] 14 MICROWAVE AVG = 0.000065 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.009105 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.91047 0.91047 distinct frequency lines in fit: 97 distinct parameters of fit: 10 for standard parameter errors previous errors are multiplied by: 0.961373 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: 10000 A /MHz 4366.1667(34) 1 20000 B /MHz 2064.58178(92) 2 30000 C /MHz 1399.61390(61) 3 200 DJ /kHz 3.475(16) 4 1100 DJK /kHz 5.77(13) 5 2000 DK /kHz 19.27(60) 6 40100 dJ /kHz [ 1.083] 7 41000 dK /kHz [ 9.488] 8 110010000 1.5*Xaa /MHz -64.674(18) 9 110040000 (Xb-Xc)/4 /MHz -3.3512(80) 10 110610000 chiab /MHz [26.76] 11 220010000 1.5*Xaa /MHz 27.306(25) 12 220040000 (Xb-Xc)/4 /MHz -18.3564(53) 13 220610000 chiab /MHz [21.15] 14 CORRELATION COEFFICIENTS, C.ij: A B C -DJ -DJK -DK 1.5*Xaa (Xb-Xc)/ A 1.0000 B 0.4701 1.0000 C -0.5335 0.1389 1.0000 -DJ 0.4873 -0.2434 -0.9313 1.0000 -DJK -0.6833 -0.1416 0.4991 -0.5923 1.0000 -DK -0.9274 -0.5488 0.4498 -0.3535 0.3951 1.0000 1.5*Xaa 0.0480 -0.0107 -0.0082 0.0300 -0.1338 0.0446 1.0000 (Xb-Xc)/4 -0.0529 -0.0753 0.0167 -0.0023 0.0001 0.0343 -0.2678 1.0000 1.5*Xaa 0.0475 0.0553 -0.0368 0.0366 -0.1023 0.0273 0.4562 -0.5261 (Xb-Xc)/4 -0.0823 -0.0530 0.0427 -0.0406 0.0986 0.0614 0.0154 -0.3845 1.5*Xaa (Xb-Xc)/ 1.5*Xaa 0.0000 (Xb-Xc)/4 0.0952 0.0000 Mean value of |C.ij|, i.ne.j = 0.2285 Mean value of C.ij, i.ne.j = -0.0707 Worst fitting lines (obs-calc/error): 26: -2.5 100: -2.4 64: -2.2 4: 2.1 44: 2.1 16: 1.8 74: 1.7 33: -1.7 1: 1.5 70: -1.5 83: -1.5 41: -1.4 79: 1.3 86: -1.3 19: 1.2 54: 1.2 49: 1.2 87: 1.1 69: 1.1 17: 1.0 31: 1.0 66: -1.0 84: 1.0 7: -1.0 98: 1.0 68: 1.0 67: -0.9 51: 0.9 20: -0.9 59: -0.9 38: -0.9 37: 0.9 10: 0.9 88: 0.9 22: 0.8 25: -0.8 96: -0.8 71: -0.8 5: -0.8 21: -0.8 97: 0.8 81: 0.8 36: -0.8 61: 0.7 63: 0.7 15: -0.6 78: -0.6 13: -0.6 95: 0.6 92: 0.5 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM