(H2O)2...H35Cl: S substate Thu Sep 19 18:53:10 2002 ------------------------------------------------------------------------------- obs o-c error blends o-c wt ------------------------------------------------------------------------------- ! ! a-type transitions ! 1 0 1 2 0 0 0 2 5382.9977 0.0057 0.002 1 0 1 3 0 0 0 2 5386.5032 0.0082 0.002 1 0 1 1 0 0 0 2 5389.2693 -0.0011 0.002 ! 2 1 2 3 1 1 1 3 9756.1481 0.0004 0.002 2 1 2 2 1 1 1 1 9758.3553 0.0004 0.002 2 1 2 3 1 1 1 2 9759.2938 0.0015 0.002 2 1 2 4 1 1 1 3 9762.7891 -0.0069 0.002 2 1 2 2 1 1 1 2 9764.0504 0.0022 0.002 2 1 2 1 1 1 1 1 9765.0015 0.0002 0.002 ! 2 0 2 3 1 0 1 3 10586.4448 -0.0049 0.002 2 0 2 2 1 0 1 1 10586.9545 0.0020 0.002 2 0 2 3 1 0 1 2 10589.9484 -0.0042 0.002 2 0 2 4 1 0 1 3 10591.0229 0.0015 0.002 2 0 2 1 1 0 1 1 10591.5215 -0.0055 0.002 2 0 2 2 1 0 1 2 10593.2319 0.0009 0.002 2 0 2 1 1 0 1 2 10597.7965 -0.0090 0.005 ! 2 1 1 1 1 1 0 2 11772.7230 0.0016 0.005 2 1 1 2 1 1 0 2 11775.8768 -0.0003 0.002 2 1 1 3 1 1 0 2 11778.1349 0.0014 0.002 2 1 1 4 1 1 0 3 11781.6243 0.0046 0.002 2 1 1 1 1 1 0 1 11784.6926 -0.0012 0.002 2 1 1 3 1 1 0 3 11784.7772 -0.0027 0.002 2 1 1 2 1 1 0 1 11787.8477 -0.0019 0.002 ! 3 1 3 3 2 1 2 2 14535.8878 -0.0018 0.002 3 1 3 5 2 1 2 4 14538.1386 -0.0063 0.002 3 1 3 4 2 1 2 3 14537.0098 0.0019 0.002 3 1 3 2 2 1 2 1 14537.1212 0.0009 0.002 3 1 3 3 2 1 2 3 14540.6441 -0.0015 0.002 3 1 3 2 2 1 2 2 14543.7709 0.0042 0.002 ! 3 0 3 4 2 0 2 4 15462.8833 -0.0017 0.002 3 0 3 3 2 0 2 2 15466.9888 0.0035 0.002 3 0 3 4 2 0 2 3 15467.4577 0.0010 0.002 3 0 3 2 2 0 2 1 15468.4212 -0.0011 0.002 3 0 3 5 2 0 2 4 15468.8925 0.0016 0.002 3 0 3 3 2 0 2 3 15470.2657 0.0022 0.002 3 0 3 2 2 0 2 2 15472.9996 0.0026 0.002 ! 3 2 2 4 2 2 1 3 16153.9840 -0.0015 0.005 3 2 2 3 2 2 1 2 16156.5240 0.0001 0.005 3 2 2 5 2 2 1 4 16157.4990 0.0058 0.005 ! 3 2 1 3 2 2 0 3 16841.9328 -0.0039 0.002 3 2 1 4 2 2 0 3 16843.1145 0.0003 0.002 3 2 1 5 2 2 0 4 16845.1821 0.0054 0.002 3 2 1 2 2 2 0 1 16847.2623 -0.0011 0.002 ! 3 1 2 3 2 1 1 3 17544.0030 -0.0012 0.002 3 1 2 2 2 1 1 2 17544.3765 -0.0037 0.002 3 1 2 4 2 1 1 3 17544.8922 0.0014 0.002 3 1 2 5 2 1 1 4 17546.1603 0.0066 0.002 3 1 2 3 2 1 1 2 17546.2582 -0.0022 0.002 3 1 2 2 2 1 1 1 17547.5332 -0.0028 0.002 ! ! b-type transitions ! 1 1 1 2 0 0 0 2 9059.6341 -0.0014 0.002 1 1 1 3 0 0 0 2 9062.7776 -0.0025 0.002 1 1 1 1 0 0 0 2 9065.3295 0.0006 0.002 ! 2 1 2 3 1 0 1 2 13435.9397 0.0038 0.002 2 1 2 4 1 0 1 3 13439.0830 0.0017 0.002 2 1 2 2 1 0 1 2 13440.6920 0.0002 0.002 ! 3 1 3 4 2 0 2 3 17382.9896 -0.0014 0.002 3 1 3 3 2 0 2 2 17383.3515 0.0009 0.002 3 1 3 5 2 0 2 4 17386.2022 -0.0026 0.002 ------------------------------------------------------------------------------- CONSTANTS IN FIT: 10000 A /MHz 6874.2681(11) 20000 B /MHz 3197.9262(12) 30000 C /MHz 2187.9087(11) 200 DJ /kHz 9.891(32) 1100 DJK /kHz -1.14(22) 2000 DK /kHz [46.9] 40100 delJ /kHz 3.321(17) 41000 delK /kHz 19.99(47) 110010000 chi.aa*3/2 /MHz -20.9508(31) 110040000 chi(b-c)/4 /MHz -9.8085(12) 110610000 chi.ab /MHz -35.29(30) MICROWAVE AVG = 0.000021 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.003367 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 1.54818 1.54818 distinct frequency lines in fit: 58 distinct constants in fit: 10 for standard errors previous errors are multiplied by: 1.701825 FITTED CONSTANTS AND STANDARD ERRORS: 10000 A /MHz 6874.2681(19) 20000 B /MHz 3197.9262(20) 30000 C /MHz 2187.9087(18) 200 DJ /kHz 9.891(54) 1100 DJK /kHz -1.14(38) 40100 delJ /kHz 3.321(30) 41000 delK /kHz 19.99(79) 110010000 chi.aa*3/2 /MHz -20.9508(52) 110040000 chi(b-c)/4 /MHz -9.8085(21) 110610000 chi.ab /MHz -35.29(51) CORRELATION COEFFICIENTS, C.ij: A B C -DJ -DJK -delJ -delK chi.aa*3 A .0000 B -.0088 .0000 C -.0026 -.9415 .0000 -DJ .3417 -.8580 .7401 .0000 -DJK -.4007 .8169 -.8227 -.9193 .0000 -delJ -.4737 -.6085 .5837 .2129 -.1615 .0000 -delK .3401 -.8725 .8759 .9141 -.9644 .1922 .0000 chi.aa*3/2 .0209 .0045 .0048 -.0142 .0098 .0262 -.0130 .0000 chi(b-c)/4 .0795 .0536 -.0506 .0224 -.0458 -.1777 .0344 .0375 chi.ab .1667 .3236 -.2929 -.1892 .1974 -.3382 -.2232 -.0295 chi(b-c) chi.ab chi(b-c)/4 .0000 chi.ab -.0634 .0000 Mean value of |C.ij|, i.ne.j = .3216 Mean value of C.ij, i.ne.j = -.0550 -------------------------------------------------------------------------------