------------------------------------------------------------------------------ test run ------------------------------------------------------------------------------ PREDICTION OF ASYMMETRIC TOP TRANSITION FREQUENCIES AND/OR ENERGY LEVELS (Watson's reduced Hamiltonian, reduction A, representation I) * * * * * A = 4578.3100000000004001777 B = 1661.0899999999999181455 C = 1225.7799999999999727152 MUA = 0.8750000000000000000 MUB = 0.4849999999999999867 MUC = 0.0000000000000000000 J limits for P&R-type: 0 - 20 Frequency limits: 1000.0 - 20000.0 J limits for Q-type: 0 - 20 Line strength cutoff: 0.010000 K-1 limits: 0 - 20 Alpha cutoff: 1x10-12 ------------------------------------------------------------------------------ LINES IN ORDER OF ASCENDING FREQUENCY: 461 lines in temp. file FREQUENCY Alpha max J K K J K K Branch Line Lower -1 +1 -1 +1 Strength Level /MHz /cm-1 cm-1 1000.432363 4.13E-08 6, 3, 3 7, 1, 6 a.P 2,-3 0.021876 2.952 1195.595404 6.05E-07 8, 3, 5 8, 3, 6 a.Q 0,-1 1.909721 4.437 1243.673793 2.56E-11 12, 5, 8 11, 6, 5 b.R-1, 3 0.917706 10.161 1298.706135 9.70E-10 9, 4, 5 10, 2, 8 a.P 2,-3 0.024994 6.009 1305.930000 1.09E-04 2, 1, 1 2, 1, 2 a.Q 0,-1 0.833333 0.372 1384.459778 3.16E-11 12, 5, 7 11, 6, 6 b.R-1, 1 0.918712 10.161 1389.134790 7.51E-09 8, 5, 4 9, 4, 5 b.P 1,-1 0.587234 6.052 1392.089914 4.52E-07 7, 1, 7 6, 2, 4 b.R-1, 3 0.217643 2.518 1403.910688 1.84E-07 6, 4, 2 7, 3, 5 b.P 1,-3 0.448420 3.658 1432.646189 2.48E-05 5, 2, 3 5, 2, 4 a.Q 0,-1 1.338966 1.858 1480.441734 3.00E-09 10, 4, 7 9, 5, 4 b.R-1, 3 0.781912 6.976 1482.468975 1.53E-06 6, 1, 6 5, 2, 3 b.R-1, 3 0.270122 1.906 1488.053104 1.03E-07 8, 3, 6 7, 4, 3 b.R-1, 3 0.638715 4.387 1505.125547 1.89E-06 4, 3, 1 5, 2, 4 b.P 1,-3 0.302684 1.858 1555.616474 4.39E-12 14, 1, 13 13, 3, 10 a.R-2, 3 0.029077 10.113 1583.731110 9.78E-09 8, 5, 3 9, 4, 6 b.P 1,-3 0.585885 6.046 1645.192978 1.22E-09 12, 4, 8 12, 4, 9 a.Q 0,-1 2.192064 9.280 1767.550378 1.34E-11 14, 2, 13 13, 3, 10 b.R-1, 3 0.224817 10.113 1821.334195 2.16E-10 10, 6, 5 11, 5, 6 b.P 1,-1 0.720820 9.029 1847.644800 8.17E-08 8, 1, 7 7, 3, 4 a.R-2, 3 0.036796 3.677 1862.646273 1.56E-06 3, 2, 1 4, 0, 4 a.P 2,-3 0.013508 0.941 1880.641223 2.31E-10 10, 6, 4 11, 5, 7 b.P 1,-3 0.720505 9.027 1921.037152 5.03E-09 10, 4, 6 9, 5, 5 b.R-1, 1 0.786349 6.975 1956.193379 1.32E-12 14, 3, 11 13, 5, 8 a.R-2, 3 0.040365 11.489 2122.022572 9.87E-06 2, 2, 0 3, 1, 3 b.P 1,-3 0.139222 0.638 2200.533877 2.16E-12 12, 7, 6 13, 6, 7 b.P 1,-1 0.854194 12.604 2210.086394 4.83E-07 9, 3, 6 9, 3, 7 a.Q 0,-1 1.610701 5.311 2217.637566 2.20E-12 12, 7, 5 13, 6, 8 b.P 1,-3 0.854121 12.603 2608.218510 1.41E-09 11, 2, 9 10, 4, 6 a.R-2, 3 0.040854 7.039 2608.911107 2.02E-04 3, 1, 2 3, 1, 3 a.Q 0,-1 0.585964 0.638 2653.339546 2.89E-05 6, 2, 4 6, 2, 5 a.Q 0,-1 1.070541 2.429 2709.385562 3.41E-07 8, 3, 5 7, 4, 4 b.R-1, 1 0.658845 4.386 2811.347241 1.41E-04 2, 0, 2 1, 1, 1 b.R-1, 1 0.606977 0.194 2832.141333 4.89E-10 13, 4, 9 13, 4, 10 a.Q 0,-1 1.905591 10.555 2835.813597 1.27E-11 12, 5, 7 13, 3, 10 a.P 2,-3 0.026167 10.113 2886.870000 1.05E-03 1, 0, 1 0, 0, 0 a.R 0, 1 1.000000 0.000 2907.439947 2.55E-08 9, 2, 7 10, 1, 10 b.P 1,-3 0.088631 4.889 2981.997773 1.13E-08 9, 2, 7 10, 0, 10 a.P 2,-3 0.011444 4.886 3203.239164 3.25E-06 7, 2, 6 6, 3, 3 b.R-1, 3 0.605540 2.985 3352.530000 5.61E-04 1, 1, 0 1, 0, 1 b.Q 1,-1 1.500000 0.096 3541.282565 8.56E-06 3, 3, 1 4, 2, 2 b.P 1,-1 0.135013 1.402 3696.816586 2.72E-07 10, 3, 7 10, 3, 8 a.Q 0,-1 1.360728 6.281 3715.625515 2.08E-10 13, 1, 12 12, 3, 9 a.R-2, 3 0.037084 8.771 3727.138730 9.38E-06 6, 2, 4 5, 3, 3 b.R-1, 1 0.558752 2.393 3833.012759 8.51E-04 2, 1, 1 2, 0, 2 b.Q 1,-1 2.321705 0.287 4019.212060 1.59E-07 9, 1, 8 8, 3, 5 a.R-2, 3 0.050513 4.477 4076.711584 6.03E-10 13, 2, 12 12, 3, 9 b.R-1, 3 0.293158 8.771 4110.190514 2.30E-06 5, 4, 2 6, 3, 3 b.P 1,-1 0.266569 2.985 4189.822729 8.38E-05 4, 1, 3 3, 2, 2 b.R-1, 1 0.535594 0.996 4191.976654 1.18E-05 3, 3, 0 4, 2, 3 b.P 1,-3 0.130962 1.380 4266.674858 3.28E-07 9, 3, 7 8, 4, 4 b.R-1, 3 0.819910 5.169 4308.210938 9.29E-07 5, 3, 2 6, 1, 5 a.P 2,-3 0.010560 2.252 4332.583505 2.50E-04 4, 1, 3 4, 1, 4 a.Q 0,-1 0.458459 0.991 4335.919552 2.34E-05 7, 2, 5 7, 2, 6 a.Q 0,-1 0.879156 3.092 4349.628846 2.57E-06 5, 4, 1 6, 3, 4 b.P 1,-3 0.265287 2.977 4399.186657 6.66E-11 13, 5, 9 12, 6, 6 b.R-1, 3 1.118468 11.333 4527.562094 1.44E-10 14, 4, 10 14, 4, 11 a.Q 0,-1 1.649597 11.926 4532.075584 7.99E-09 11, 4, 8 10, 5, 5 b.R-1, 3 0.978724 7.952 4557.528875 1.80E-07 7, 5, 3 8, 4, 4 b.P 1,-1 0.398952 5.169 4633.672858 1.01E-03 3, 1, 2 3, 0, 3 b.Q 1,-1 2.889423 0.570 4633.932886 1.87E-07 7, 5, 2 8, 4, 5 b.P 1,-3 0.398613 5.167 4706.446682 7.58E-11 13, 5, 8 12, 6, 7 b.R-1, 1 1.121344 11.332 4944.407495 5.11E-09 9, 6, 4 10, 5, 5 b.P 1,-1 0.531515 7.952 4967.025456 5.15E-09 9, 6, 3 10, 5, 6 b.P 1,-3 0.531430 7.951 5004.193336 3.12E-06 8, 2, 7 7, 3, 4 b.R-1, 3 0.676140 3.677 5142.343813 2.85E-09 12, 1, 11 11, 3, 8 a.R-2, 3 0.046415 7.534 5308.829010 5.62E-11 11, 7, 5 12, 6, 6 b.P 1,-1 0.664071 11.333 5315.225296 5.63E-11 11, 7, 4 12, 6, 7 b.P 1,-3 0.664050 11.332 5337.262280 8.26E-08 10, 1, 9 9, 3, 6 a.R-2, 3 0.057025 5.385 5338.430000 3.81E-03 2, 1, 2 1, 1, 1 a.R 0, 1 1.500000 0.194 5430.286165 1.65E-08 10, 2, 8 11, 1, 11 b.P 1,-3 0.068019 5.828 5436.482174 1.14E-08 11, 4, 7 10, 5, 6 b.R-1, 1 0.991563 7.951 5501.302173 3.82E-08 8, 4, 4 9, 2, 7 a.P 2,-3 0.014052 4.986 5686.227468 1.13E-07 11, 3, 8 11, 3, 9 a.Q 0,-1 1.159997 7.344 5709.875997 2.06E-08 11, 1, 10 10, 3, 7 a.R-2, 3 0.054536 6.404 5728.567241 6.64E-03 2, 0, 2 1, 0, 1 a.R 0, 1 1.992847 0.096 5743.053619 8.89E-09 12, 2, 11 11, 3, 8 b.R-1, 3 0.384310 7.534 5804.090000 1.20E-03 1, 1, 1 0, 0, 0 b.R 1, 1 1.000000 0.000 5829.747439 9.90E-04 4, 1, 3 4, 0, 4 b.Q 1,-1 3.160384 0.941 5955.978436 9.96E-04 3, 0, 3 2, 1, 2 b.R-1, 1 1.346677 0.372 5993.464847 2.07E-09 12, 2, 10 11, 4, 7 a.R-2, 3 0.060212 8.133 6209.050000 4.93E-03 2, 1, 1 1, 1, 0 a.R 0, 1 1.500000 0.208 6259.886388 1.48E-06 9, 2, 8 8, 3, 5 b.R-1, 3 0.670568 4.477 6432.166200 2.54E-12 15, 3, 12 14, 5, 9 a.R-2, 3 0.059782 12.877 6448.568346 2.33E-04 5, 1, 4 5, 1, 5 a.Q 0,-1 0.384802 1.431 6465.374494 1.41E-05 8, 2, 6 8, 2, 7 a.Q 0,-1 0.745013 3.844 6552.654803 7.80E-07 9, 3, 6 8, 4, 5 b.R-1, 1 0.878152 5.167 6679.810099 7.63E-08 11, 2, 10 10, 3, 7 b.R-1, 3 0.492916 6.404 6768.138330 3.18E-11 15, 4, 11 15, 4, 12 a.Q 0,-1 1.432083 13.392 6845.709678 4.20E-07 10, 2, 9 9, 3, 6 b.R-1, 3 0.599273 5.385 6849.831324 2.62E-07 10, 3, 8 9, 4, 5 b.R-1, 3 0.973539 6.052 7228.154140 6.11E-06 4, 4, 1 5, 3, 2 b.P 1,-1 0.107104 2.396 7309.387508 6.25E-06 4, 4, 0 5, 3, 3 b.P 1,-3 0.106939 2.393 7474.367520 8.12E-04 5, 1, 4 5, 0, 5 b.Q 1,-1 3.180522 1.397 7528.021811 5.13E-09 12, 4, 9 11, 5, 6 b.R-1, 3 1.167380 9.029 7569.926996 3.41E-11 14, 5, 10 13, 6, 7 b.R-1, 3 1.318194 12.604 7630.864358 8.21E-07 6, 5, 2 7, 4, 3 b.P 1,-1 0.229045 4.387 7656.686922 8.26E-07 6, 5, 1 7, 4, 4 b.P 1,-3 0.228982 4.386 7728.043932 3.59E-10 11, 5, 6 12, 3, 9 a.P 2,-3 0.016532 8.771 7777.167224 2.36E-05 7, 2, 5 6, 3, 4 b.R-1, 1 0.836715 2.977 7796.336405 8.11E-04 5, 2, 3 5, 1, 4 b.Q 1,-1 4.218271 1.646 7954.275812 4.36E-04 6, 2, 4 6, 1, 5 b.Q 1,-1 5.244987 2.252 7970.174519 1.28E-03 4, 2, 2 4, 1, 3 b.Q 1,-1 3.074846 1.136 7970.369455 2.82E-04 5, 1, 4 4, 2, 3 b.R-1, 1 0.961933 1.380 7980.740187 1.09E-02 3, 1, 3 2, 1, 2 a.R 0, 1 2.663953 0.372 8007.218418 3.35E-08 8, 6, 3 9, 5, 4 b.P 1,-1 0.355835 6.976 8014.850758 3.35E-08 8, 6, 2 9, 5, 5 b.P 1,-3 0.355817 6.975 8160.459739 3.56E-08 12, 3, 9 12, 3, 10 a.Q 0,-1 1.007036 8.499 8192.884364 3.95E-11 14, 5, 9 13, 6, 8 b.R-1, 1 1.325754 12.603 8255.650000 2.96E-03 2, 1, 2 1, 0, 1 b.R 1, 1 1.500000 0.096 8303.412473 6.56E-09 11, 2, 9 12, 1, 12 b.P 1,-3 0.054531 6.849 8351.270270 1.62E-03 3, 2, 1 3, 1, 2 b.Q 1,-1 1.983885 0.725 8372.286895 5.04E-10 10, 7, 4 11, 6, 5 b.P 1,-1 0.484762 10.161 8374.443628 5.04E-10 10, 7, 3 11, 6, 6 b.P 1,-3 0.484757 10.161 8483.061195 1.52E-02 3, 0, 3 2, 0, 2 a.R 0, 1 2.972764 0.287 8539.591079 2.06E-04 7, 2, 5 7, 1, 6 b.Q 1,-1 5.984447 2.952 8623.811696 9.14E-10 13, 2, 11 12, 4, 8 a.R-2, 3 0.078129 9.335 8660.610000 4.84E-03 3, 2, 2 2, 2, 1 a.R 0, 1 1.666667 0.707 8732.108192 2.97E-12 12, 8, 5 13, 7, 6 b.P 1,-1 0.614804 13.944 8732.699314 2.97E-12 12, 8, 4 13, 7, 7 b.P 1,-3 0.614802 13.944 8796.832759 1.41E-03 2, 2, 0 2, 1, 1 b.Q 1,-1 1.011628 0.415 8838.158805 5.00E-03 3, 2, 1 2, 2, 0 a.R 0, 1 1.667069 0.709 8903.415983 1.73E-04 6, 1, 5 6, 1, 6 a.Q 0,-1 0.341577 1.955 8997.603062 6.62E-06 9, 2, 7 9, 2, 8 a.Q 0,-1 0.654036 4.685 9097.535104 2.40E-03 4, 0, 4 3, 1, 3 b.R-1, 1 2.232715 0.638 9131.136905 1.16E-07 11, 3, 9 10, 4, 6 b.R-1, 3 1.078400 7.039 9231.883813 7.56E-09 12, 4, 8 11, 5, 7 b.R-1, 1 1.201170 9.027 9283.721294 1.33E-02 3, 1, 2 2, 1, 1 a.R 0, 1 2.663326 0.415 9537.081255 5.42E-12 16, 4, 12 16, 4, 13 a.Q 0,-1 1.258367 14.951 9561.731775 5.55E-04 6, 1, 5 6, 0, 6 b.Q 1,-1 3.064877 1.933 9621.923030 8.65E-05 8, 2, 6 8, 1, 7 b.Q 1,-1 6.349515 3.739 10057.590000 1.56E-03 2, 2, 1 2, 1, 2 b.Q 1,-1 0.833333 0.372 10303.001289 2.10E-10 14, 2, 12 13, 4, 9 a.R-2, 3 0.087983 10.649 10405.182339 1.88E-09 13, 4, 10 12, 5, 7 b.R-1, 3 1.336334 10.207 10461.515626 2.63E-12 16, 2, 14 15, 4, 11 a.R-2, 3 0.076627 13.617 10507.822946 4.69E-03 3, 1, 3 2, 0, 2 b.R 1, 1 2.068946 0.287 10594.699038 1.69E-02 4, 1, 4 3, 1, 3 a.R 0, 1 3.741591 0.638 10640.767790 1.51E-06 5, 5, 1 6, 4, 2 b.P 1,-1 0.089336 3.705 10647.874589 1.52E-06 5, 5, 0 6, 4, 3 b.P 1,-3 0.089329 3.705 10727.157198 9.90E-12 15, 5, 11 14, 6, 8 b.R-1, 3 1.511393 13.976 10737.459813 1.97E-03 3, 2, 2 3, 1, 3 b.Q 1,-1 1.385706 0.638 10739.048984 6.63E-07 10, 3, 7 9, 4, 6 b.R-1, 1 1.119541 6.046 10776.337515 3.86E-12 14, 5, 10 15, 3, 13 a.P 2,-3 0.021397 12.497 10918.261157 2.92E-11 15, 2, 13 14, 4, 10 a.R-2, 3 0.086582 12.077 10981.581551 3.40E-08 12, 3, 10 11, 4, 7 b.R-1, 3 1.114313 8.133 11024.877106 1.15E-07 7, 6, 2 8, 5, 3 b.P 1,-1 0.200755 6.099 11026.460640 1.04E-12 15, 5, 11 16, 2, 14 b.P 3,-3 0.149491 13.966 11027.076991 1.15E-07 7, 6, 1 8, 5, 4 b.P 1,-3 0.200752 6.099 11065.041415 8.89E-09 13, 3, 10 13, 3, 11 a.Q 0,-1 0.897140 9.744 11122.296854 2.13E-02 4, 0, 4 3, 0, 3 a.R 0, 1 3.939478 0.570 11179.354159 4.81E-10 12, 4, 9 13, 2, 12 a.P 2,-3 0.014330 8.907 11238.277391 3.21E-05 9, 2, 7 9, 1, 8 b.Q 1,-1 6.371989 4.611 11328.750779 2.49E-09 11, 4, 8 12, 2, 11 a.P 2,-3 0.013263 7.725 11382.467463 1.92E-09 12, 2, 10 13, 1, 13 b.P 1,-3 0.045695 7.953 11399.144246 2.63E-09 9, 7, 3 10, 6, 4 b.P 1,-1 0.320855 9.090 11399.784125 2.63E-09 9, 7, 2 10, 6, 5 b.P 1,-3 0.320854 9.090 11473.445558 8.38E-11 13, 4, 10 14, 2, 13 a.P 2,-3 0.014764 10.172 11512.252052 9.27E-03 4, 2, 3 3, 2, 2 a.R 0, 1 2.997196 0.996 11540.440228 1.11E-09 12, 4, 9 13, 1, 12 b.P 3,-3 0.100674 8.895 11544.505537 7.97E-12 16, 3, 14 15, 4, 11 b.R-1, 3 0.643518 13.617 11614.016804 1.04E-04 7, 1, 6 7, 1, 7 a.Q 0,-1 0.317933 2.564 11629.640962 2.59E-03 4, 3, 2 3, 3, 1 a.R 0, 1 1.751566 1.520 11647.208565 2.60E-03 4, 3, 1 3, 3, 0 a.R 0, 1 1.751572 1.520 11655.012827 1.76E-03 4, 2, 3 4, 1, 4 b.Q 1,-1 1.801838 0.991 11685.379462 1.95E-10 13, 4, 10 14, 1, 13 b.P 3,-3 0.107510 10.165 11767.285634 2.20E-11 11, 8, 4 12, 7, 5 b.P 1,-1 0.445212 12.677 11767.464524 2.20E-11 11, 8, 3 12, 7, 6 b.P 1,-3 0.445212 12.677 11818.531147 4.35E-04 6, 1, 5 5, 2, 4 b.R-1, 1 1.516847 1.858 11845.354045 6.03E-06 10, 3, 7 10, 2, 8 b.Q 1,-1 8.221072 6.009 11863.776789 2.52E-06 10, 2, 8 10, 2, 9 a.Q 0,-1 0.595899 5.613 11908.430570 1.19E-11 15, 5, 10 14, 6, 9 b.R-1, 1 1.530049 13.975 11929.197050 1.15E-08 10, 4, 7 11, 2, 10 a.P 2,-3 0.011556 6.627 11929.460585 5.66E-09 11, 4, 8 12, 1, 11 b.P 3,-3 0.087685 7.705 11937.275684 9.73E-03 4, 2, 2 3, 2, 1 a.R 0, 1 3.000813 1.003 11978.063426 2.29E-05 9, 3, 6 9, 2, 7 b.Q 1,-1 7.032272 4.986 12015.246646 3.18E-04 7, 1, 6 7, 0, 7 b.Q 1,-1 2.925213 2.551 12043.720551 2.62E-05 8, 2, 6 7, 3, 5 b.R-1, 1 1.180986 3.658 12061.018479 3.07E-11 13, 5, 9 14, 3, 12 a.P 2,-3 0.018349 11.077 12151.014763 3.37E-03 5, 0, 5 4, 1, 4 b.R-1, 1 3.233989 0.991 12186.928177 1.32E-11 14, 4, 11 15, 2, 14 a.P 2,-3 0.014677 11.519 12209.145863 1.40E-06 11, 3, 8 11, 2, 9 b.Q 1,-1 9.109890 7.126 12259.218736 6.92E-09 13, 3, 11 12, 4, 8 b.R-1, 3 1.070945 9.335 12286.778796 1.41E-06 7, 3, 5 8, 0, 8 b.P 3,-3 0.034278 3.248 12290.367530 5.41E-07 8, 3, 6 9, 0, 9 b.P 3,-3 0.040170 4.027 12308.936472 3.08E-11 14, 4, 11 15, 1, 14 b.P 3,-3 0.109123 11.515 12318.371435 1.90E-02 4, 1, 3 3, 1, 2 a.R 0, 1 3.737878 0.725 12461.164463 9.13E-12 14, 5, 10 15, 2, 13 b.P 3,-3 0.120174 12.441 12488.429049 7.56E-05 8, 3, 5 8, 2, 6 b.Q 1,-1 5.741586 4.060 12539.728814 2.97E-09 10, 5, 5 11, 3, 8 a.P 2,-3 0.010216 7.534 12584.672759 1.18E-04 2, 2, 1 2, 0, 2 a.Q 2,-1 0.011922 0.287 12603.088106 1.05E-10 15, 3, 13 14, 4, 10 b.R-1, 3 0.803178 12.077 12619.460788 5.58E-03 4, 1, 4 3, 0, 3 b.R 1, 1 2.748354 0.570 12749.974804 1.78E-07 9, 3, 7 10, 0, 10 b.P 3,-3 0.042872 4.886 12762.221564 2.69E-04 3, 2, 2 3, 0, 3 a.Q 2,-1 0.040022 0.570 12777.670501 3.04E-06 6, 3, 4 7, 0, 7 b.P 3,-3 0.025368 2.551 12812.258562 1.27E-03 5, 2, 4 5, 1, 5 b.Q 1,-1 2.112831 1.431 12831.013701 1.00E-09 14, 3, 12 13, 4, 9 b.R-1, 3 0.957508 10.649 12899.131151 2.50E-08 10, 4, 7 11, 1, 10 b.P 3,-3 0.069131 6.595 13077.694081 4.74E-10 14, 4, 11 13, 5, 8 b.R-1, 3 1.470326 11.489 13148.576444 2.92E-07 12, 3, 9 12, 2, 10 b.Q 1,-1 9.575392 8.332 13152.176761 3.49E-04 4, 2, 3 4, 0, 4 a.Q 2,-1 0.084606 0.941 13176.813936 1.84E-02 5, 1, 5 4, 1, 4 a.R 0, 1 4.783123 0.991 13221.414650 2.13E-04 7, 3, 4 7, 2, 5 b.Q 1,-1 4.528095 3.236 13282.270653 1.87E-12 15, 4, 12 16, 2, 15 a.P 2,-3 0.014223 12.948 13351.393838 4.38E-12 15, 4, 12 16, 1, 15 b.P 3,-3 0.107031 12.946 13372.224187 1.04E-05 10, 2, 8 10, 1, 9 b.Q 1,-1 6.180149 5.563 13375.963500 3.01E-09 13, 4, 9 12, 5, 8 b.R-1, 1 1.418349 10.203 13619.611995 5.10E-08 10, 3, 8 11, 0, 11 b.P 3,-3 0.043071 5.827 13648.178697 2.14E-02 5, 0, 5 4, 0, 4 a.R 0, 1 4.901568 0.941 13762.215184 2.08E-10 12, 5, 8 13, 3, 11 a.P 2,-3 0.014903 9.744 13788.868858 4.94E-06 5, 3, 3 6, 0, 6 b.P 3,-3 0.015107 1.933 13825.733291 1.98E-12 16, 5, 12 15, 6, 9 b.R-1, 3 1.690678 15.450 13838.057736 3.21E-04 5, 2, 4 5, 0, 5 a.Q 2,-1 0.138321 1.397 14006.539080 5.03E-04 6, 3, 3 6, 2, 4 b.Q 1,-1 3.478517 2.518 14007.921803 1.96E-07 6, 6, 1 7, 5, 2 b.P 1,-1 0.076618 5.321 14008.432620 1.96E-07 6, 6, 0 7, 5, 3 b.P 1,-3 0.076618 5.321 14204.352249 7.74E-04 6, 2, 5 6, 1, 6 b.Q 1,-1 2.336116 1.955 14318.122892 1.79E-09 14, 3, 11 14, 3, 12 a.Q 0,-1 0.823982 11.077 14334.059671 1.05E-02 5, 2, 4 4, 2, 3 a.R 0, 1 4.191104 1.380 14395.786883 8.52E-09 8, 7, 2 9, 6, 3 b.P 1,-1 0.178611 8.117 14395.947897 8.52E-09 8, 7, 1 9, 6, 4 b.P 1,-3 0.178611 8.117 14473.369115 5.24E-05 8, 1, 7 8, 1, 8 a.Q 0,-1 0.307378 3.256 14478.529248 9.06E-08 9, 4, 6 10, 1, 9 b.P 3,-3 0.047792 5.563 14525.588777 4.42E-10 13, 2, 11 14, 1, 14 b.P 1,-3 0.039764 9.138 14534.640329 7.54E-04 5, 4, 2 4, 4, 1 a.R 0, 1 1.801932 2.637 14535.910639 7.54E-04 5, 4, 1 4, 4, 0 a.R 0, 1 1.801932 2.637 14561.059177 3.84E-03 5, 3, 3 4, 3, 2 a.R 0, 1 3.202195 1.908 14589.030891 6.78E-11 13, 5, 9 14, 2, 12 b.P 3,-3 0.087315 10.993 14621.616538 3.86E-03 5, 3, 2 4, 3, 1 a.R 0, 1 3.202277 1.908 14673.977870 5.32E-03 5, 1, 5 4, 0, 4 b.R 1, 1 3.554974 0.941 14694.095896 9.65E-04 5, 3, 2 5, 2, 3 b.Q 1,-1 2.581782 1.906 14700.448454 5.42E-08 13, 3, 10 13, 2, 11 b.Q 1,-1 9.623675 9.623 14708.576316 1.53E-04 8, 1, 7 8, 0, 8 b.Q 1,-1 2.821285 3.248 14775.223992 1.10E-10 10, 8, 3 11, 7, 4 b.P 1,-1 0.292007 11.510 14775.271389 1.10E-10 10, 8, 2 11, 7, 5 b.P 1,-3 0.292006 11.510 14848.331066 1.29E-08 11, 3, 9 12, 0, 12 b.P 3,-3 0.041665 6.849 14862.668041 2.26E-04 6, 2, 5 6, 0, 6 a.Q 2,-1 0.189948 1.933 14960.710000 6.62E-03 2, 2, 1 1, 1, 0 b.R 1, 1 1.500000 0.208 14970.410980 7.89E-07 11, 2, 9 11, 2, 10 a.Q 0,-1 0.562892 6.627 15069.057934 3.30E-03 6, 0, 6 5, 1, 5 b.R-1, 1 4.292497 1.431 15118.960664 1.10E-02 5, 2, 3 4, 2, 2 a.R 0, 1 4.205564 1.402 15191.440023 1.44E-03 4, 3, 1 4, 2, 2 b.Q 1,-1 1.770674 1.402 15250.359793 3.49E-07 11, 3, 8 10, 4, 7 b.R-1, 1 1.400171 7.025 15292.798778 1.86E-02 5, 1, 4 4, 1, 3 a.R 0, 1 4.770462 1.136 15435.298122 8.67E-11 15, 4, 12 14, 5, 9 b.R-1, 3 1.550778 12.877 15441.192759 6.57E-03 2, 2, 0 1, 1, 1 b.R 1,-1 1.393023 0.194 15481.507142 1.41E-03 3, 3, 0 3, 2, 1 b.Q 1,-1 0.956133 1.003 15649.062796 4.27E-09 14, 4, 10 14, 3, 11 b.Q 1,-1 11.167230 11.555 15659.446264 4.29E-04 7, 1, 6 6, 2, 5 b.R-1, 1 2.224439 2.429 15701.279813 1.44E-03 3, 3, 1 3, 2, 2 b.Q 1,-1 0.947627 0.996 15727.373726 1.54E-02 6, 1, 6 5, 1, 5 a.R 0, 1 5.805947 1.431 15771.270253 5.17E-10 15, 4, 11 15, 3, 12 b.Q 1,-1 12.213197 13.091 15809.498625 7.85E-12 13, 6, 7 14, 4, 10 a.P 2,-3 0.013183 12.077 15817.688331 4.01E-04 7, 2, 6 7, 1, 7 b.Q 1,-1 2.488751 2.564 15818.668723 1.52E-03 4, 3, 2 4, 2, 3 b.Q 1,-1 1.722873 1.380 15829.834647 1.17E-09 11, 5, 7 12, 3, 10 a.P 2,-3 0.011401 8.499 15929.443144 2.51E-12 16, 5, 11 15, 6, 10 b.R-1, 1 1.734413 15.447 15940.345082 2.92E-06 11, 2, 9 11, 1, 10 b.Q 1,-1 5.925355 6.595 16045.668230 1.10E-03 5, 3, 3 5, 2, 4 b.Q 1,-1 2.418271 1.858 16073.137269 3.10E-08 13, 4, 9 13, 3, 10 b.Q 1,-1 9.824405 10.113 16094.857107 1.69E-02 6, 0, 6 5, 0, 5 a.R 0, 1 5.870576 1.397 16218.918173 1.28E-04 7, 2, 6 7, 0, 7 a.Q 2,-1 0.231698 2.551 16382.312631 2.86E-09 12, 3, 10 13, 0, 13 b.P 3,-3 0.039415 7.952 16421.870118 6.28E-04 6, 3, 4 6, 2, 5 b.Q 1,-1 3.051700 2.429 16453.084854 1.86E-05 9, 2, 7 8, 3, 6 b.R-1, 1 1.618972 4.437 16534.222659 5.57E-11 16, 4, 12 16, 3, 13 b.Q 1,-1 12.803195 14.717 16663.686013 2.55E-07 8, 4, 5 9, 1, 8 b.P 3,-3 0.028020 4.611 16753.172900 4.18E-03 6, 1, 6 5, 0, 5 b.R 1, 1 4.469824 1.397 16846.135305 8.90E-09 14, 3, 11 14, 2, 12 b.Q 1,-1 9.380707 10.993 16901.258721 1.96E-07 12, 4, 8 12, 3, 9 b.Q 1,-1 8.403509 8.771 16983.181480 3.00E-04 7, 3, 5 7, 2, 6 b.Q 1,-1 3.617388 3.092 17119.467413 8.56E-03 6, 2, 5 5, 2, 4 a.R 0, 1 5.314560 1.858 17344.949106 1.19E-11 16, 4, 13 15, 5, 10 b.R-1, 3 1.559353 14.372 17367.446920 1.46E-08 7, 7, 1 8, 6, 2 b.P 1,-1 0.067060 7.243 17367.479278 1.46E-08 7, 7, 0 8, 6, 3 b.P 1,-3 0.067060 7.243 17371.261733 2.20E-05 9, 1, 8 9, 1, 9 a.Q 0,-1 0.305029 4.031 17397.622223 4.02E-10 12, 5, 8 13, 2, 11 b.P 3,-3 0.056563 9.623 17412.270000 6.72E-03 3, 2, 2 2, 1, 1 b.R 1, 1 1.666667 0.415 17434.686972 1.27E-04 6, 5, 2 5, 5, 1 a.R 0, 1 1.835411 4.060 17434.764682 1.27E-04 6, 5, 1 5, 5, 0 a.R 0, 1 1.835411 4.060 17473.041818 8.95E-04 6, 4, 3 5, 4, 2 a.R 0, 1 3.336697 3.122 17478.710995 8.95E-04 6, 4, 2 5, 4, 1 a.R 0, 1 3.336699 3.122 17487.599773 1.62E-12 14, 6, 9 15, 4, 12 a.P 2,-3 0.015800 13.392 17495.669302 3.45E-03 6, 3, 4 5, 3, 3 a.R 0, 1 4.501678 2.393 17505.174993 6.21E-05 9, 1, 8 9, 0, 9 b.Q 1,-1 2.763934 4.027 17619.336985 8.33E-11 14, 2, 12 15, 1, 15 b.P 1,-3 0.035577 10.405 17629.917651 1.78E-04 8, 2, 7 8, 1, 8 b.Q 1,-1 2.588130 3.256 17652.603955 3.48E-03 6, 3, 3 5, 3, 2 a.R 0, 1 4.502254 2.396 17758.208139 1.22E-04 8, 3, 6 8, 2, 7 b.Q 1,-1 4.103676 3.844 17759.808795 3.61E-10 9, 8, 2 10, 7, 3 b.P 1,-1 0.160834 10.441 17759.819384 3.61E-10 9, 8, 1 10, 7, 4 b.P 1,-3 0.160834 10.441 17814.535641 2.97E-10 15, 3, 12 15, 3, 13 a.Q 0,-1 0.781083 12.497 17848.551867 2.43E-03 7, 0, 7 6, 1, 6 b.R-1, 1 5.360339 1.955 17865.124853 6.02E-05 8, 2, 7 8, 0, 8 a.Q 2,-1 0.261857 3.248 17906.167210 8.42E-10 14, 4, 10 13, 5, 9 b.R-1, 1 1.653759 11.479 17953.753805 1.06E-06 11, 4, 7 11, 3, 8 b.Q 1,-1 7.084779 7.534 17981.883826 5.35E-12 17, 4, 13 17, 3, 14 b.Q 1,-1 12.910240 16.427 18144.063735 2.63E-12 11, 9, 3 12, 8, 4 b.P 1,-1 0.267858 14.235 18144.066935 2.63E-12 11, 9, 2 12, 8, 5 b.P 1,-3 0.267858 14.235 18167.187255 5.55E-10 13, 3, 11 14, 0, 14 b.P 3,-3 0.036843 9.138 18182.221363 1.36E-02 6, 1, 5 5, 1, 4 a.R 0, 1 5.773821 1.646 18204.165033 2.06E-07 12, 2, 10 12, 2, 11 a.Q 0,-1 0.548685 7.725 18249.781709 1.03E-02 7, 1, 7 6, 1, 6 a.R 0, 1 6.818206 1.955 18340.160771 8.77E-03 6, 2, 4 5, 2, 3 a.R 0, 1 5.349428 1.906 18506.867659 1.09E-02 7, 0, 7 6, 0, 6 a.R 0, 1 6.851104 1.933 18659.593224 1.23E-12 17, 4, 14 16, 5, 11 b.R-1, 3 1.485729 15.979 18765.580094 4.27E-05 9, 3, 7 9, 2, 8 b.Q 1,-1 4.502063 4.685 18804.874839 7.05E-07 12, 2, 10 12, 1, 11 b.Q 1,-1 5.711393 7.705 18908.097501 2.74E-03 7, 1, 7 6, 0, 6 b.R 1, 1 5.451015 1.933 18940.921564 6.28E-03 3, 2, 1 2, 1, 2 b.R 1,-1 1.319990 0.372 19042.002569 4.84E-06 10, 4, 6 10, 3, 7 b.Q 1,-1 5.949292 6.404 19400.966517 5.19E-07 7, 4, 4 8, 1, 7 b.P 3,-3 0.013493 3.739 19404.979001 3.02E-04 8, 1, 7 7, 2, 6 b.R-1, 1 3.091972 3.092 19499.362589 1.27E-09 15, 3, 12 15, 2, 13 b.Q 1,-1 9.023009 12.441 19611.936061 6.78E-05 9, 2, 8 9, 1, 9 b.Q 1,-1 2.650155 4.031 19640.800758 5.70E-03 4, 2, 3 3, 1, 2 b.R 1, 1 1.910865 0.725 19745.849322 2.38E-05 9, 2, 8 9, 0, 9 a.Q 2,-1 0.282405 4.027 19863.117791 5.42E-03 7, 2, 6 6, 2, 5 a.R 0, 1 6.395853 2.429 318 lines printed ABSORPTION COEFFICIENTS WERE CALCULATED WITH: Vibrational population factor, F.v = 0.9500 Symmetry number, sigma = 1.0000 Reduced nuclear statistical weight, g.I = 1.0000 Pressure broadening parameter /MHz Torr-1 = 20.0000 Isotopic abundance factor, i.c = 1.0000 Temperature, T/K = 1.0000 ------------------------------------------------------------------------------