(H2O)2...H(81Br): S Fri Oct 27 09:17:30 2017 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! a-type ! 1: 1 0 1 1 0 0 0 2 3609.4607 -0.0011 0.002 2: 1 0 1 3 0 0 0 2 3637.1311 0.0012 0.002 ! 3: 2 1 2 4 1 1 1 3 6798.8753 0.0050 0.002 4: 2 1 2 3 1 1 1 2 6832.3793 0.0019 0.002 ! 5: 2 0 2 4 1 0 1 3 7249.3772 -0.0001 0.002 6: 2 0 2 3 1 0 1 2 7253.0352 0.0029 0.002 7: 2 0 2 1 1 0 1 1 7252.9212 -0.0013 0.002 8: 2 0 2 3 1 0 1 3 7286.5798 0.0051 0.002 9/ 2 0 2 2 1 0 1 1 7289.0679 -0.0075 0.002 ! 10: 2 1 1 4 1 1 0 3 7760.2257 0.0053 0.002 11: 2 1 1 3 1 1 0 2 7794.9218 0.0028 0.002 ! 12: 3 1 3 5 2 1 2 4 10187.8019 -0.0028 0.002 13: 3 1 3 2 2 1 2 1 10194.0352 -0.0025 0.002 14: 3 1 3 4 2 1 2 3 10196.8044 0.0023 0.002 15: 3 1 3 3 2 1 2 2 10203.3460 0.0032 0.002 ! 16: 3 0 3 5 2 0 2 4 10790.9390 0.0000 0.002 17: 3 0 3 4 2 0 2 3 10794.1608 0.0026 0.002 18: 3 0 3 2 2 0 2 1 10797.2933 -0.0011 0.002 19: 3 0 3 3 2 0 2 2 10800.7126 -0.0042 0.002 ! 20: 3 1 2 5 2 1 1 4 11623.2693 -0.0013 0.002 21: 3 1 2 4 2 1 1 3 11632.2051 -0.0042 0.002 22: 4 1 4 6 3 1 3 5 13550.1679 -0.0050 0.002 23: 4 1 4 4 3 1 3 3 13559.1388 0.0011 0.002 ! 24: 4 0 4 6 3 0 3 5 14235.8908 -0.0047 0.002 25: 4 0 4 5 3 0 3 4 14240.2990 -0.0014 0.002 26: 4 0 4 4 3 0 3 3 14243.2916 0.0010 0.002 ! 27: 4 2 3 6 3 2 2 5 14544.9204 0.0026 0.002 28: 4 2 3 5 3 2 2 4 14556.3764 -0.0035 0.002 29: 4 2 2 6 3 2 1 5 14879.7773 -0.0011 0.002 ! 30: 4 1 3 6 3 1 2 5 15454.6818 -0.0019 0.002 31: 4 1 3 4 3 1 2 3 15458.0583 0.0017 0.002 32: 4 1 3 5 3 1 2 4 15460.4268 0.0041 0.002 ! 33: 5 1 5 7 4 1 4 6 16884.0077 -0.0014 0.002 34: 5 1 5 6 4 1 4 5 16884.0384 0.0025 0.002 ! 35: 5 0 5 7 4 0 4 6 17571.2410 -0.0008 0.002 36: 5 0 5 6 4 0 4 5 17576.1917 0.0018 0.002 37: 5 0 5 5 4 0 4 4 17577.8423 0.0021 0.002 ! ! b-type ! 38: 1 1 1 1 0 0 0 2 8342.0599 0.0014 0.002 39: 1 1 1 3 0 0 0 2 8349.2088 -0.0009 0.002 40: 1 1 1 2 0 0 0 2 8359.6610 -0.0026 0.002 ! 41: 3 1 3 5 2 0 2 4 14449.3774 0.0000 0.002 42: 3 1 3 4 2 0 2 3 14465.1405 0.0021 0.002 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 6768.208(23) 1 20000 B /MHz 2061.0307(16) 2 30000 C /MHz 1582.7896(15) 3 200 DJ /kHz 4.026(12) 4 1100 DJK /kHz 7.572(96) 5 2000 DK /kHz -110.(22) 6 40100 delJ /kHz 0.9828(61) 7 41000 delK /kHz 9.27(76) 8 110010000 chi.aa*3/2 /MHz 203.3790(62) 9 110040000 chi(b-c)/4 /MHz 53.7769(27) 10 110610000 chi.ab /MHz -239.848(56) 11 10010000 M.aa {+IMJ /MHz [ 0.] 12 10020000 M.bb {+IMJ /MHz 0.00390(28) 13 -10030000 M.cc /MHz 0.00390(28) = 1.00000 * 13 MICROWAVE AVG = 0.000073 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.002962 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 1.48121 1.48121 distinct frequency lines in fit: 42 distinct parameters of fit: 12 upper state lower state overall limits of quantum number 1: 1 5 0 4 0 5 limits of quantum number 2: 0 2 0 2 0 2 limits of quantum number 3: 1 5 0 4 0 5 limits of quantum number 4: 1 7 1 6 1 7 frequency range: 3609 17577 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 6768.209(40) 1 20000 B /MHz 2061.0307(29) 2 30000 C /MHz 1582.7896(27) 3 200 DJ /kHz 4.026(21) 4 1100 DJK /kHz 7.57(16) 5 2000 DK /kHz -111.(39) 6 40100 delJ /kHz 0.983(10) 7 41000 delK /kHz 9.3(13) 8 110010000 chi.aa*3/2 /MHz 203.379(10) 9 110040000 chi(b-c)/4 /MHz 53.7770(48) 10 110610000 chi.ab /MHz -239.848(98) 11 10010000 M.aa {+IMJ /MHz [ 0.] 12 10020000 M.bb {+IMJ /MHz 0.00391(50) 13 -10030000 M.cc /MHz 0.00391(50) = 1.00000 * 13 ------------------------------------------------------------------------------------------ Worst fitted constants, with greater than 20% uncertainty: % 2000 DK /kHz -111.(39) 6 36.0 ------------------------------------------------------------------------------------------ CORRELATION COEFFICIENTS, C.ij: A B C -DJ -DJK -DK -delJ -delK A 1.0000 B 0.7716 1.0000 C -0.7943 -0.9810 1.0000 -DJ 0.2248 -0.4164 0.3366 1.0000 -DJK -0.6964 -0.2284 0.2334 -0.6528 1.0000 -DK -0.9988 -0.7650 0.7886 -0.2299 0.6965 1.0000 -delJ 0.0984 -0.2439 0.1488 0.4706 -0.2542 -0.1179 1.0000 -delK -0.8158 -0.9639 0.9815 0.3173 0.2690 0.8151 0.0078 1.0000 chi.aa*3/2 0.2348 0.1409 -0.1905 0.1281 -0.1479 -0.2340 0.1214 -0.1871 chi(b-c)/4 0.0367 0.0302 -0.0540 0.0227 -0.0403 -0.0331 -0.0100 -0.0378 chi.ab 0.5646 0.5769 -0.5687 -0.0792 -0.2120 -0.5605 0.0386 -0.5724 M.bb {+IMJ -0.1053 -0.0576 0.0485 -0.0910 -0.0057 0.1057 0.0378 0.0403 chi.aa*3 chi(b-c) chi.ab M.bb {+I chi.aa*3/2 1.0000 chi(b-c)/4 0.2757 1.0000 chi.ab 0.2836 -0.0342 1.0000 M.bb {+IMJ 0.1796 0.0907 -0.0696 1.0000 Mean value of |C.ij|, i.ne.j = 0.3116 Mean value of C.ij, i.ne.j = -0.0354 Worst correlations, with absolute value greater than 0.9950: 2000 -DK <-> 10000 A -0.998820 Worst fitted lines (obs-calc/error): 9: -3.8 10: 2.6 8: 2.6 22: -2.5 3: 2.5 24: -2.4 19: -2.1 21: -2.1 32: 2.1 28: -1.8 15: 1.6 6: 1.4 11: 1.4 12: -1.4 27: 1.3 17: 1.3 40: -1.3 13: -1.2 34: 1.2 14: 1.1 42: 1.0 37: 1.0 4: 0.9 30: -0.9 36: 0.9 31: 0.8 25: -0.7 33: -0.7 38: 0.7 20: -0.6 7: -0.6 2: 0.6 1: -0.6 23: 0.6 18: -0.6 29: -0.6 26: 0.5 39: -0.4 35: -0.4 5: -0.1 41: 0.0 16: 0.0 9/ 2 0 2 2 1 0 1 1 7289.0679 -0.0075 0.002 10: 2 1 1 4 1 1 0 3 7760.2257 0.0053 0.002 8: 2 0 2 3 1 0 1 3 7286.5798 0.0051 0.002 22: 4 1 4 6 3 1 3 5 13550.1679 -0.0050 0.002 3: 2 1 2 4 1 1 1 3 6798.8753 0.0050 0.002 24: 4 0 4 6 3 0 3 5 14235.8908 -0.0047 0.002 19: 3 0 3 3 2 0 2 2 10800.7126 -0.0042 0.002 21: 3 1 2 4 2 1 1 3 11632.2051 -0.0042 0.002 32: 4 1 3 5 3 1 2 4 15460.4268 0.0041 0.002 28: 4 2 3 5 3 2 2 4 14556.3764 -0.0035 0.002 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM