(H2O)(HCl)2 37Cl1+37Cl2 Mon Mar 14 09:58:10 2011 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= 1: 1 1 1 3 3 0 0 0 3 3 6036.9209 0.0016 0.010 2: 1 1 1 3 4 0 0 0 3 3 6044.9106 -0.0008 0.010 3: 1 1 1 3 2 0 0 0 3 3 6053.3162 0.0074 0.010 ! 4: 2 1 2 3 2 1 0 1 3 2 8788.5079 0.0168 0.010 0.0107 0.40 5: 2 1 2 2 3 1 0 1 3 2 8788.5079 0.0066 0.010 0.0107 0.60 6: 2 1 2 0 2 1 0 1 0 1 8791.7670 0.0058 0.010 7: 2 1 2 3 4 1 0 1 3 4 8792.2218 0.0089 0.010 8: 2 1 2 1 3 1 0 1 1 2 8798.0921 -0.0045 0.010 9: 2 1 2 3 5 1 0 1 3 4 8800.0745 0.0038 0.010 10: 2 1 2 3 3 1 0 1 2 2 8800.5519 -0.0128 0.010 11: 2 1 2 1 2 1 0 1 1 2 8802.8203 -0.0017 0.010 12: 2 1 2 2 2 1 0 1 0 1 8803.5238 0.0035 0.010 13: 2 1 2 2 4 1 0 1 3 3 8804.6512 0.0044 0.010 ! 14: 4 0 4 2 5 3 1 3 2 4 10971.4316 0.0014 0.010 15: 4 0 4 1 4 3 1 3 0 3 10971.7655 0.0060 0.010 0.0126 0.78 16: 4 0 4 3 2 3 1 3 3 1 10971.7655 0.0366 0.010 0.0126 0.22 17: 4 0 4 3 6 3 1 3 3 5 10972.4071 -0.0032 0.010 18: 4 0 4 3 7 3 1 3 3 6 10972.8502 -0.0066 0.010 -0.0100 0.65 19: 4 0 4 0 4 3 1 3 1 3 10972.8502 -0.0162 0.010 -0.0100 0.35 20: 4 0 4 2 4 3 1 3 2 3 10973.4506 -0.0030 0.010 21: 4 0 4 3 5 3 1 3 3 4 10974.0557 -0.0069 0.010 22: 4 0 4 2 3 3 1 3 3 2 10974.1879 0.0100 0.010 23: 4 0 4 1 5 3 1 3 1 4 10974.3981 -0.0047 0.010 24: 4 0 4 2 6 3 1 3 2 5 10975.0116 -0.0006 0.010 ! 25: 3 1 3 1 2 2 0 2 2 1 11291.7144 -0.0208 0.010 26: 3 1 3 3 2 2 0 2 0 2 11292.0163 -0.0037 0.010 27: 3 1 3 3 4 2 0 2 1 3 11294.6917 -0.0004 0.010 28: 3 1 3 1 4 2 0 2 2 3 11294.8408 -0.0013 0.010 29: 3 1 3 2 4 2 0 2 3 3 11296.0840 -0.0037 0.010 30: 3 1 3 2 3 2 0 2 2 2 11296.2523 -0.0092 0.010 31: 3 1 3 3 5 2 0 2 3 4 11298.4230 0.0107 0.010 32: 3 1 3 3 6 2 0 2 3 5 11298.8394 0.0062 0.010 33: 3 1 3 0 3 2 0 2 1 2 11301.0660 0.0113 0.010 ! 34: 5 0 5 2 4 4 1 4 2 3 14295.2060 0.0000 0.010 35: 5 0 5 2 6 4 1 4 2 5 14295.7160 -0.0024 0.010 36: 5 0 5 3 5 4 1 4 3 4 14296.4247 -0.0023 0.010 -0.0049 0.27 37: 5 0 5 0 5 4 1 4 0 4 14296.4247 0.0031 0.010 -0.0049 0.31 38: 5 0 5 3 7 4 1 4 3 6 14296.4247 -0.0126 0.010 -0.0049 0.42 39: 5 0 5 3 8 4 1 4 3 7 14296.6756 0.0050 0.010 0.0081 0.65 40: 5 0 5 2 3 4 1 4 2 3 14296.6756 0.0203 0.010 0.0081 0.04 41: 5 0 5 1 4 4 1 4 1 3 14296.6756 0.0127 0.010 0.0081 0.31 42: 5 0 5 1 6 4 1 4 1 5 14297.3805 0.0009 0.010 43: 5 0 5 2 7 4 1 4 2 6 14297.6041 -0.0011 0.010 ! 44: 2 2 1 2 4 1 1 0 3 3 15365.4745 0.0074 0.010 45: 2 2 1 3 2 1 1 0 2 2 15367.6467 -0.0071 0.010 46: 2 2 1 2 3 1 1 0 1 2 15369.4200 0.0018 0.010 47: 2 2 1 2 4 1 1 0 2 3 15372.0641 -0.0023 0.010 48: 2 2 1 3 5 1 1 0 3 4 15377.2676 -0.0018 0.010 49: 2 2 1 1 2 1 1 0 1 1 15380.0819 -0.0060 0.010 50: 2 2 1 1 3 1 1 0 2 3 15382.3044 -0.0172 0.010 51: 2 2 1 3 4 1 1 0 2 3 15383.3083 0.0430 0.010 0.0058 0.69 52: 2 2 1 2 2 1 1 0 2 2 15383.3083 -0.0761 0.010 0.0058 0.31 53: 2 2 1 3 3 1 1 0 3 2 15384.5829 -0.0053 0.010 54: 2 2 1 3 4 1 1 0 3 4 15385.4687 0.0049 0.010 ! 55: 5 1 5 3 4 4 0 4 2 3 15981.4692 0.0067 0.010 56: 5 1 5 3 5 4 0 4 3 4 15981.6074 0.0045 0.010 57: 5 1 5 3 6 4 0 4 3 5 15981.9223 0.0100 0.010 58: 5 1 5 2 7 4 0 4 2 6 15982.3750 -0.0047 0.010 59: 5 1 5 2 5 4 0 4 2 4 15982.6685 0.0119 0.010 60: 5 1 5 2 6 4 0 4 2 5 15984.8973 -0.0267 0.010 61: 5 1 5 3 7 4 0 4 3 6 15985.1249 0.0064 0.010 62: 5 1 5 3 8 4 0 4 3 7 15985.5879 -0.0053 0.010 ! 63: 2 2 0 1 2 1 1 1 1 1 16030.1809 -0.0077 0.010 64: 2 2 0 2 1 1 1 1 3 2 16031.1913 -0.0038 0.010 -0.0004 0.57 65: 2 2 0 3 2 1 1 1 3 2 16031.1913 0.0041 0.010 -0.0004 0.43 66: 2 2 0 2 3 1 1 1 1 2 16036.0963 -0.0046 0.010 67: 2 2 0 1 3 1 1 1 3 2 16037.1300 -0.0063 0.010 68: 2 2 0 3 2 1 1 1 2 3 16037.3749 0.0068 0.010 69: 2 2 0 3 5 1 1 1 3 4 16037.6602 0.0007 0.010 70: 2 2 0 3 3 1 1 1 1 2 16039.1496 0.0037 0.010 71: 2 2 0 3 2 1 1 1 0 1 16040.2708 0.0088 0.010 72: 2 2 0 3 4 1 1 1 2 3 16043.9365 0.0070 0.010 73: 2 2 0 1 3 1 1 1 1 2 16045.0922 -0.0010 0.010 74: 2 2 0 2 1 1 1 1 2 1 16048.0070 0.0069 0.010 75: 2 2 0 3 3 1 1 1 2 2 16049.5506 -0.0066 0.010 76: 2 2 0 1 3 1 1 1 3 3 16053.5288 0.0029 0.010 ! 77: 3 2 2 3 5 2 1 1 3 4 18123.6582 -0.0048 0.010 78: 3 2 2 3 4 2 1 1 1 3 18124.5773 0.0096 0.010 79: 3 2 2 3 6 2 1 1 3 5 18132.0656 -0.0003 0.010 80: 3 2 2 2 5 2 1 1 2 4 18134.7043 -0.0016 0.010 -------------------------------------------------------------------------------- PARAMETERS IN FIT: 10000 A /MHz 4666.6422(23) 1 20000 B /MHz 1957.7166(11) 2 30000 C /MHz 1377.13028(82) 3 200 DJ /kHz 3.260(19) 4 1100 DJK /kHz 5.22(27) 5 2000 DK /kHz [22.64] 6 40100 dJ /kHz [ 0.992] 7 41000 dK /kHz [ 9.12] 8 110010000 1.5*Xaa /MHz -52.065(22) 9 110040000 (Xb-Xc)/4 /MHz -2.4638(86) 10 110610000 chiab /MHz [21.4] 11 220010000 1.5*Xaa /MHz 20.782(34) 12 220040000 (Xb-Xc)/4 /MHz -14.3326(62) 13 220610000 chiab /MHz [17.7] 14 MICROWAVE AVG = 0.000107 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.007596 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.75961 0.75961 distinct frequency lines in fit: 71 distinct parameters of fit: 9 for standard parameter errors previous errors are multiplied by: 0.812875 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: 10000 A /MHz 4666.6422(18) 1 20000 B /MHz 1957.71668(96) 2 30000 C /MHz 1377.13028(66) 3 200 DJ /kHz 3.260(15) 4 1100 DJK /kHz 5.22(22) 5 2000 DK /kHz [22.64] 6 40100 dJ /kHz [ 0.992] 7 41000 dK /kHz [ 9.12] 8 110010000 1.5*Xaa /MHz -52.065(18) 9 110040000 (Xb-Xc)/4 /MHz -2.4638(69) 10 110610000 chiab /MHz [21.4] 11 220010000 1.5*Xaa /MHz 20.782(27) 12 220040000 (Xb-Xc)/4 /MHz -14.3326(50) 13 220610000 chiab /MHz [17.7] 14 CORRELATION COEFFICIENTS, C.ij: A B C -DJ -DJK 1.5*Xaa (Xb-Xc)/ 1.5*Xaa A 1.0000 B -0.6861 1.0000 C -0.0449 0.2633 1.0000 -DJ 0.4814 -0.6588 -0.8272 1.0000 -DJK -0.9582 0.7020 -0.0410 -0.4411 1.0000 1.5*Xaa -0.0228 0.0517 -0.1889 0.1058 0.0872 1.0000 (Xb-Xc)/4 0.0473 0.0323 0.0553 -0.0401 -0.0539 -0.1362 0.0000 1.5*Xaa -0.0426 -0.0229 -0.2834 0.1833 0.1046 0.3261 -0.4748 0.0000 (Xb-Xc)/4 0.0736 -0.1046 -0.0146 0.0508 -0.1060 -0.0916 -0.2867 0.2469 (Xb-Xc)/ (Xb-Xc)/4 0.0000 Mean value of |C.ij|, i.ne.j = 0.2316 Mean value of C.ij, i.ne.j = -0.0754 Worst fitting lines (obs-calc/error): 60: -2.7 25: -2.1 50: -1.7 10: -1.3 15: 1.3 59: 1.2 33: 1.1 4: 1.1 31: 1.1 22: 1.0 57: 1.0 18: -1.0 78: 1.0 30: -0.9 7: 0.9 71: 0.9 39: 0.8 63: -0.8 3: 0.7 44: 0.7 45: -0.7 72: 0.7 21: -0.7 74: 0.7 68: 0.7 55: 0.7 75: -0.7 61: 0.6 67: -0.6 32: 0.6 49: -0.6 51: 0.6 6: 0.6 62: -0.5 53: -0.5 36: -0.5 54: 0.5 77: -0.5 23: -0.5 58: -0.5 66: -0.5 56: 0.4 8: -0.4 13: 0.4 9: 0.4 29: -0.4 70: 0.4 26: -0.4 12: 0.3 17: -0.3 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM