(H2O)2...H(81Br): W Fri Oct 27 09:18:59 2017 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! a-type ! 1: 2 1 2 4 1 1 1 3 6798.3968 0.0011 0.002 2: 2 1 2 3 1 1 1 2 6831.9224 0.0035 0.002 ! 3: 2 0 2 2 1 0 1 2 7227.7995 0.0027 0.002 4: 2 0 2 4 1 0 1 3 7249.3129 0.0019 0.002 5: 2 0 2 3 1 0 1 2 7252.9700 0.0013 0.002 6: 2 0 2 3 1 0 1 3 7286.5319 0.0032 0.002 7: 2 0 2 2 1 0 1 1 7289.0226 -0.0049 0.002 ! 8: 2 1 1 4 1 1 0 3 7760.6792 0.0058 0.002 9: 2 1 1 3 1 1 0 2 7795.3925 0.0040 0.002 ! 10: 3 1 3 5 2 1 2 4 10187.0575 -0.0042 0.002 11: 3 1 3 4 2 1 2 3 10196.0650 0.0002 0.002 12: 3 1 3 3 2 1 2 2 10202.6033 -0.0011 0.002 ! 13: 3 0 3 5 2 0 2 4 10790.6978 -0.0007 0.002 14: 3 0 3 4 2 0 2 3 10793.9205 0.0008 0.002 15: 3 0 3 3 2 0 2 2 10800.4775 -0.0053 0.002 ! 16: 3 1 2 5 2 1 1 4 11623.9114 -0.0036 0.002 17/ 3 1 2 3 2 1 1 2 11626.2331 0.0069 0.002 18: 3 1 2 4 2 1 1 3 11632.8548 -0.0048 0.002 ! 19: 4 1 4 6 3 1 3 5 13549.1193 -0.0044 0.002 20: 4 1 4 4 3 1 3 3 13558.0933 0.0000 0.002 21: 4 1 4 5 3 1 3 4 13553.2815 -0.0039 0.002 22: 4 1 4 3 3 1 3 2 13553.3358 0.0013 0.002 ! 23: 4 0 4 6 3 0 3 5 14235.3254 -0.0038 0.002 24: 4 0 4 5 3 0 3 4 14239.7361 -0.0002 0.002 ! 25: 4 2 3 6 3 2 2 5 14544.7903 0.0023 0.002 26: 4 2 3 5 3 2 2 4 14556.3086 -0.0033 0.002 27/ 4 2 2 6 3 2 1 5 14880.2545 -0.0061 0.002 28: 4 2 2 5 3 2 1 4 14889.4281 0.0049 0.002 ! 29: 4 1 3 5 3 1 2 4 15461.2079 0.0010 0.002 30: 4 1 3 6 3 1 2 5 15455.4642 0.0000 0.002 ! 31: 5 1 5 7 4 1 4 6 16882.6138 0.0012 0.010 32: 5 1 5 6 4 1 4 5 16882.7056 0.0019 0.010 33: 5 1 5 5 4 1 4 4 16888.2599 -0.0006 0.002 ! 34: 5 0 5 7 4 0 4 6 17570.2040 0.0029 0.002 35: 5 0 5 6 4 0 4 5 17575.1540 0.0033 0.002 ! ! b-type ! 36/ 1 1 1 1 0 0 0 2 8343.1508 -0.0079 0.002 37/ 1 1 1 3 0 0 0 2 8350.2987 0.0068 0.002 38/ 1 1 1 2 0 0 0 2 8360.7216 -0.0077 0.002 ! 39: 3 1 3 5 2 0 2 4 14449.3198 0.0044 0.002 40: 3 1 3 4 2 0 2 3 14465.0655 0.0041 0.002 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 6769.583(27) 1 20000 B /MHz 2061.2659(17) 2 30000 C /MHz 1582.5528(16) 3 200 DJ /kHz 4.053(11) 4 1100 DJK /kHz 7.72(11) 5 2000 DK /kHz -49.(27) 6 40100 delJ /kHz 0.9957(73) 7 41000 delK /kHz 11.00(82) 8 110010000 chi.aa*3/2 /MHz 203.4564(65) 9 110040000 chi(b-c)/4 /MHz 53.7529(27) 10 110610000 chi.ab /MHz -239.821(61) 11 10010000 M.aa {+IMJ /MHz [ 0.] 12 10020000 M.bb {+IMJ /MHz 0.00208(35) 13 -10030000 M.cc /MHz 0.00208(35) = 1.00000 * 13 MICROWAVE AVG = 0.000094 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.003906 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 1.94463 1.94463 distinct frequency lines in fit: 40 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: 6798 17575 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 6769.583(63) 1 20000 B /MHz 2061.2659(40) 2 30000 C /MHz 1582.5528(37) 3 200 DJ /kHz 4.053(26) 4 1100 DJK /kHz 7.73(25) 5 2000 DK /kHz -50.(62) 6 40100 delJ /kHz 0.996(16) 7 41000 delK /kHz 11.0(19) 8 110010000 chi.aa*3/2 /MHz 203.456(15) 9 110040000 chi(b-c)/4 /MHz 53.7529(64) 10 110610000 chi.ab /MHz -239.82(14) 11 10010000 M.aa {+IMJ /MHz [ 0.] 12 10020000 M.bb {+IMJ /MHz 0.00208(81) 13 -10030000 M.cc /MHz 0.00208(81) = 1.00000 * 13 ------------------------------------------------------------------------------------------ Worst fitted constants, with greater than 20% uncertainty: % 2000 DK /kHz -50.(62) 6 125.5 10020000 M.bb {+IMJ /MHz 0.00208(81) 13 39.1 -10030000 M.cc /MHz 0.00208(81) = 1.00000 * 13 39.1 ------------------------------------------------------------------------------------------ CORRELATION COEFFICIENTS, C.ij: A B C -DJ -DJK -DK -delJ -delK A 1.0000 B 0.8315 1.0000 C -0.8562 -0.9798 1.0000 -DJ 0.3240 -0.2171 0.1136 1.0000 -DJK -0.7711 -0.3891 0.4095 -0.7026 1.0000 -DK -0.9991 -0.8259 0.8512 -0.3283 0.7718 1.0000 -delJ 0.3105 -0.0144 -0.0725 0.5373 -0.4183 -0.3275 1.0000 -delK -0.8905 -0.9609 0.9786 0.0644 0.4682 0.8903 -0.2338 1.0000 chi.aa*3/2 0.1492 0.0719 -0.1328 0.1584 -0.1432 -0.1484 0.1065 -0.1244 chi(b-c)/4 0.0170 -0.0221 -0.0073 0.0832 -0.0512 -0.0144 0.0108 0.0079 chi.ab 0.3680 0.5216 -0.4822 -0.2167 -0.0606 -0.3621 -0.0168 -0.4684 M.bb {+IMJ 0.0426 0.0081 -0.0352 0.0311 -0.1075 -0.0398 -0.1524 -0.0017 chi.aa*3 chi(b-c) chi.ab M.bb {+I chi.aa*3/2 1.0000 chi(b-c)/4 0.3179 1.0000 chi.ab 0.0271 -0.1125 1.0000 M.bb {+IMJ 0.3206 0.1342 -0.1263 1.0000 Mean value of |C.ij|, i.ne.j = 0.3142 Mean value of C.ij, i.ne.j = -0.0437 Worst correlations, with absolute value greater than 0.9950: 2000 -DK <-> 10000 A -0.999125 Worst fitted lines (obs-calc/error): 36: -4.0 38: -3.9 17: 3.4 37: 3.4 27: -3.1 8: 2.9 15: -2.6 7: -2.4 28: 2.4 18: -2.4 19: -2.2 39: 2.2 10: -2.1 40: 2.1 9: 2.0 21: -1.9 23: -1.9 16: -1.8 2: 1.8 35: 1.6 26: -1.6 6: 1.6 34: 1.4 3: 1.4 25: 1.1 4: 0.9 22: 0.6 5: 0.6 1: 0.6 12: -0.6 29: 0.5 14: 0.4 13: -0.3 33: -0.3 32: 0.2 31: 0.1 11: 0.1 24: -0.1 30: 0.0 20: 0.0 36/ 1 1 1 1 0 0 0 2 8343.1508 -0.0079 0.002 38/ 1 1 1 2 0 0 0 2 8360.7216 -0.0077 0.002 17/ 3 1 2 3 2 1 1 2 11626.2331 0.0069 0.002 37/ 1 1 1 3 0 0 0 2 8350.2987 0.0068 0.002 27/ 4 2 2 6 3 2 1 5 14880.2545 -0.0061 0.002 8: 2 1 1 4 1 1 0 3 7760.6792 0.0058 0.002 15: 3 0 3 3 2 0 2 2 10800.4775 -0.0053 0.002 7: 2 0 2 2 1 0 1 1 7289.0226 -0.0049 0.002 28: 4 2 2 5 3 2 1 4 14889.4281 0.0049 0.002 18: 3 1 2 4 2 1 1 3 11632.8548 -0.0048 0.002 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM