pyruvic acid v_23=1 (10) A+E -1 1 1 6 0 1 2.27 0.0 0.0 298. ! ISCD,NC,NIV,NIT,IFPR,NUNC,DIP1,DIP2,DIP3,TEMP,KVQ 3 .027877 1 33.968 1 0. 0 ! N1,RHO1,IVRHO1,BETA1,IVBET1,ALPHA1,IVALP1 1 .00000000 0 0.0000 0 0.0000 0 ! N1,RHO1,IVRHO1,BETA1,IVBET1,ALPHA1,IVALP1 0 75 150000. 340000. 0.3 5540.156 3573.128 2203.685 0.6848 -0.7017 1.432943 0.258077 0.552416 0.000 0.000 0.00 0.0 0.000 0.000 0.00 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 0 0 0 7.078494592E+03 1 ! IQ1,IQ2,MEG,KAP,JP,KP,PAR,IVAR (tunneling pars) 2 0 1 0 0 0 76.342843559E+00 1 1 0 -1 0 0 1 -16.177971519E+00 1 1 0 -1 1 0 0 -2.485288063E+00 1 1 0 1 0 0 2 -344.128200889E-03 1 1 0 1 0 0 4 1.883880631E-06 1 1 0 1 0 2 0 -53.616157560E-03 1 1 0 1 0 2 2 0.000000000E-00 0 1 0 1 0 4 0 4.265838321E-06 1 1 0 1 2 0 0 -35.755937390E-03 1 1 0 1 2 0 2 -7.047470018E-06 1 1 0 1 2 2 0 5.542740970E-06 1 1 0 1 4 0 0 3.467673388E-06 1 1 0 1 4 0 2 -2.335995764E-09 1 2 0 1 0 0 2 5.837120604E-03 1 2 0 1 0 2 0 5.837120604E-03 1 2 0 1 0 2 2 7.187508233E-06 1 0 0 0 0 0 0 0. 0 0 0 8 8 ! IS1,IS2,ISP1,ISP2 (symmetry blocks) 1 0 8 8 ! IS1,IS2,ISP1,ISP2 (symmetry blocks) -1 0 0 0 0 0 23 23 23 22 9922.840000 0.0 0.100000 ! IS1,IS2,JQ,NQ,J,NN,FREQ,BLE,ER 0 0 24 23 24 22 17389.890000 0.0 0.100000 0 0 25 25 25 24 9159.330000 0.0 0.100000 0 0 26 25 26 24 16436.520000 0.0 0.100000 0 0 28 27 28 26 15375.160000 0.0 0.100000 0 0 30 29 30 28 14242.180000 0.0 0.100000 0 0 32 31 32 30 13071.620000 0.0 0.100000 0 0 36 35 36 34 10735.990000 0.0 0.100000 0 0 39 37 39 36 17513.110000 0.0 0.100000 0 0 41 8 41 5 162227.665930 0.0 0.050000 0 0 42 10 42 7 161677.891430 0.0 0.050000 0 0 43 12 43 9 161080.754790 0.0 0.050000 0 0 44 12 44 9 165346.910310 0.0 0.050000 0 0 47 14 47 11 173251.291900 0.0 0.050000 0 0 47 18 47 15 163267.206650 0.0 0.050000 0 0 48 18 48 15 167560.287780 0.0 0.050000 0 0 48 20 48 17 162458.657210 0.0 0.050000 0 0 49 19 49 18 166765.270530 0.0 0.050000 0 0 50 22 50 19 165907.794990 0.0 0.050000 0 0 53 23 53 22 173650.012010 0.0 0.050000 0 0 53 26 53 23 168342.528610 0.0 0.050000 0 0 53 27 53 26 162909.991220 0.0 0.050000 0 0 3 1 2 1 15627.060000 0.0 0.100000 0 0 4 1 3 1 19919.280000 0.0 0.100000 0 0 5 1 4 1 24229.280000 0.0 0.100000 0 0 6 1 5 1 28594.940000 0.0 0.100000 0 0 7 1 6 1 32987.400000 0.0 0.100000 0 0 36 1 35 1 160766.821900 0.0 0.050000 0 0 38 1 37 1 169576.880430 0.0 0.050000 0 0 39 1 38 1 173981.781850 0.0 0.050000 0 0 43 1 42 1 191599.668080 0.0 0.050000 0 0 44 1 43 1 196003.825090 0.0 0.050000 0 0 45 1 44 1 200407.890000 0.0 0.050000 0 0 46 1 45 1 204811.615070 0.0 0.050000 0 0 47 1 46 1 209215.236210 0.0 0.050000 0 0 48 1 47 1 213618.740450 0.0 0.050000 0 0 52 1 51 1 231230.991130 0.0 0.050000 0 0 53 1 52 1 235633.680110 0.0 0.050000 0 0 54 1 53 1 240036.086540 0.0 0.050000 0 0 64 1 63 1 284049.804460 0.0 0.050000 0 0 65 1 64 1 288450.028650 0.0 0.050000 0 0 70 1 69 1 310447.680850 0.0 0.050000 0 0 3 2 2 2 14991.500000 0.0 0.100000 0 0 4 3 3 3 24385.450000 0.0 0.100000 0 0 4 2 3 2 19616.240000 0.0 0.100000 0 0 5 3 4 3 29053.170000 0.0 0.100000 0 0 5 2 4 2 24117.810000 0.0 0.100000 0 0 6 2 5 2 28559.090000 0.0 0.100000 0 0 7 2 6 2 32976.800000 0.0 0.100000 0 0 35 3 34 3 160611.312230 0.0 0.050000 0 0 37 3 36 3 169421.116770 0.0 0.050000 0 0 38 3 37 3 173825.864650 0.0 0.050000 0 0 42 3 41 3 191443.174460 0.0 0.050000 0 0 43 3 42 3 195847.174650 0.0 0.050000 0 0 44 3 43 3 200251.005860 0.0 0.050000 0 0 45 3 44 3 204654.700710 0.0 0.050000 0 0 46 3 45 3 209058.198580 0.0 0.050000 0 0 47 3 46 3 213461.513640 0.0 0.050000 0 0 48 3 47 3 217864.730300 0.0 0.050000 0 0 51 2 50 2 226828.200420 0.0 0.050000 0 0 63 3 62 3 283889.896660 0.0 0.050000 0 0 69 3 68 3 310286.525290 0.0 0.050000 0 0 5 5 4 5 32160.870000 0.0 0.050000 0 0 6 4 5 4 32537.060000 0.0 0.100000 0 0 34 5 33 5 160459.722110 0.0 0.050000 0 0 36 5 35 5 169269.025530 0.0 0.050000 0 0 37 5 36 5 173673.457860 0.0 0.050000 0 0 41 5 40 5 191290.080070 0.0 0.050000 0 0 42 5 41 5 195693.867430 0.0 0.050000 0 0 43 5 42 5 200097.533970 0.0 0.050000 0 0 44 5 43 5 204501.050100 0.0 0.050000 0 0 45 5 44 5 208904.381840 0.0 0.050000 0 0 46 5 45 5 213307.555980 0.0 0.050000 0 0 47 5 46 5 217710.596160 0.0 0.050000 0 0 49 5 48 5 226516.138180 0.0 0.050000 0 0 50 5 49 5 230918.588650 0.0 0.050000 0 0 52 4 51 4 235475.686850 0.0 0.050000 0 0 53 4 52 4 239877.985230 0.0 0.050000 0 0 62 5 61 5 283733.392930 0.0 0.050000 0 0 68 5 67 5 310129.034300 0.0 0.050000 0 0 33 7 32 7 160314.886840 0.0 0.050000 0 0 36 7 35 7 173526.908030 0.0 0.050000 0 0 40 7 39 7 191141.830860 0.0 0.050000 0 0 41 7 40 7 195545.292230 0.0 0.050000 0 0 42 7 41 7 199948.613460 0.0 0.050000 0 0 43 7 42 7 204351.830410 0.0 0.050000 0 0 44 7 43 7 208754.918590 0.0 0.050000 0 0 45 7 44 7 213157.799750 0.0 0.050000 0 0 46 7 45 7 217560.574110 0.0 0.050000 0 0 48 7 47 7 226365.630070 0.0 0.050000 0 0 49 7 48 7 230767.918870 0.0 0.050000 0 0 50 7 49 7 235170.002050 0.0 0.050000 0 0 51 7 50 7 239572.024730 0.0 0.050000 0 0 61 7 60 7 283580.498060 0.0 0.050000 0 0 62 7 61 7 287980.159250 0.0 0.050000 0 0 67 7 66 7 309975.122340 0.0 0.050000 0 0 32 9 31 9 160181.736500 0.0 0.050000 0 0 34 9 33 9 168986.966770 0.0 0.050000 0 0 35 9 34 9 173389.760820 0.0 0.050000 0 0 39 9 38 9 191000.979740 0.0 0.050000 0 0 40 9 39 9 195403.709130 0.0 0.050000 0 0 41 9 40 9 199806.374960 0.0 0.050000 0 0 42 9 41 9 204209.020330 0.0 0.050000 0 0 43 9 42 9 208611.507070 0.0 0.050000 0 0 44 9 43 9 213013.937460 0.0 0.050000 0 0 45 9 44 9 217416.251560 0.0 0.050000 0 0 47 9 46 9 226220.452320 0.0 0.050000 0 0 48 9 47 9 230622.365090 0.0 0.050000 0 0 49 9 48 9 235024.148550 0.0 0.050000 0 0 50 9 49 9 239425.699070 0.0 0.050000 0 0 60 9 59 9 283431.597440 0.0 0.050000 0 0 61 9 60 9 287831.080670 0.0 0.050000 0 0 66 9 65 9 309825.096180 0.0 0.050000 0 0 31 11 30 11 160069.299350 0.0 0.050000 0 0 33 11 32 11 168868.059060 0.0 0.050000 0 0 34 11 33 11 173268.215810 0.0 0.050000 0 0 38 11 37 11 190871.658450 0.0 0.050000 0 0 39 11 38 11 195272.989190 0.0 0.050000 0 0 40 11 39 11 199674.306850 0.0 0.050000 0 0 41 11 40 11 204075.720110 0.0 0.050000 0 0 42 11 41 11 208477.150230 0.0 0.050000 0 0 43 11 42 11 212878.580700 0.0 0.050000 0 0 44 11 43 11 217280.029260 0.0 0.050000 0 0 46 11 45 11 226082.634300 0.0 0.050000 0 0 47 11 46 11 230483.834950 0.0 0.050000 0 0 48 11 47 11 234884.917180 0.0 0.050000 0 0 49 11 48 11 239285.915830 0.0 0.050000 0 0 59 11 58 11 283287.613340 0.0 0.050000 0 0 60 11 59 11 287686.742420 0.0 0.050000 0 0 65 11 64 11 309679.312930 0.0 0.050000 0 0 30 14 29 14 159994.227830 0.0 0.050000 0 0 32 13 31 13 168778.896150 0.0 0.050000 0 0 33 13 32 13 173173.385710 0.0 0.050000 0 0 37 13 36 13 190760.766090 0.0 0.050000 0 0 38 13 37 13 195159.132150 0.0 0.050000 0 0 39 13 38 13 199557.905010 0.0 0.050000 0 0 40 13 39 13 203957.036010 0.0 0.050000 0 0 41 13 40 13 208356.400210 0.0 0.050000 0 0 42 13 41 13 212755.879120 0.0 0.050000 0 0 43 13 42 13 217155.658710 0.0 0.050000 0 0 45 13 44 13 225955.366370 0.0 0.050000 0 0 46 13 45 13 230355.272750 0.0 0.050000 0 0 47 13 46 13 234755.313230 0.0 0.050000 0 0 48 13 47 13 239154.970970 0.0 0.050000 0 0 58 13 57 13 283149.835350 0.0 0.050000 0 0 59 13 58 13 287548.359500 0.0 0.050000 0 0 64 13 63 13 309538.727370 0.0 0.050000 0 0 29 15 28 15 159989.832270 0.5 0.050000 0 0 29 16 28 16 159989.832270 -0.5 0.050000 0 0 32 15 31 15 173125.513260 0.0 0.050000 0 0 36 15 35 15 190679.906240 0.0 0.050000 0 0 37 15 36 15 195072.617370 0.0 0.050000 0 0 38 15 37 15 199466.404280 0.0 0.050000 0 0 39 15 38 15 203861.115420 0.0 0.050000 0 0 40 15 39 15 208256.568970 0.0 0.050000 0 0 41 15 40 15 212652.630130 0.0 0.050000 0 0 42 15 41 15 217049.197590 0.0 0.050000 0 0 45 15 44 15 230241.236620 0.0 0.050000 0 0 46 15 45 15 234639.080570 0.0 0.050000 0 0 47 15 46 15 239037.114360 0.0 0.050000 0 0 63 15 62 15 309404.387710 0.0 0.050000 0 0 28 17 27 17 160138.973590 0.0 0.050000 0 0 30 17 29 17 168809.656620 0.0 0.050000 0 0 31 17 30 17 173164.528800 0.0 0.050000 0 0 35 17 34 17 190649.653720 0.0 0.050000 0 0 36 17 35 17 195031.139780 0.0 0.050000 0 0 37 17 36 17 199415.249600 0.0 0.050000 0 0 38 17 37 17 203801.577480 0.0 0.050000 0 0 39 17 38 17 208189.681760 0.0 0.050000 0 0 40 17 39 17 212579.336430 0.0 0.050000 0 0 41 17 40 17 216970.241530 0.0 0.050000 0 0 43 17 42 17 225755.054940 0.0 0.050000 0 0 44 17 43 17 230148.618170 0.0 0.050000 0 0 45 17 44 17 234542.742530 0.0 0.050000 0 0 46 17 45 17 238937.616780 0.0 0.050000 0 0 46 17 45 17 238937.616810 0.0 0.050000 0 0 56 17 55 17 282899.733900 0.0 0.050000 0 0 62 17 61 17 309278.169150 0.0 0.050000 0 0 28 18 27 18 160123.055830 0.0 0.050000 0 0 30 19 29 19 173390.946100 0.0 0.050000 0 0 30 18 29 18 168807.510230 0.0 0.050000 0 0 31 18 30 18 173163.899660 0.0 0.050000 0 0 34 19 33 19 190708.800960 0.5 0.050000 0 0 34 20 33 20 190708.800960 -0.5 0.050000 0 0 35 19 34 19 195067.458840 0.5 0.050000 0 0 35 20 34 20 195067.458840 -0.5 0.050000 0 0 36 19 35 19 199432.368520 0.0 0.050000 0 0 37 19 36 19 203802.353950 0.0 0.050000 0 0 38 19 37 19 208176.504960 0.0 0.050000 0 0 39 19 38 19 212554.073430 0.0 0.050000 0 0 40 19 39 19 216934.479940 0.0 0.050000 0 0 42 19 41 19 225702.089490 0.0 0.050000 0 0 43 19 42 19 230088.506220 0.0 0.050000 0 0 44 19 43 19 234476.449910 0.0 0.050000 0 0 45 19 44 19 238865.613440 0.0 0.050000 0 0 29 20 28 20 169057.988230 0.0 0.050000 0 0 30 20 29 20 173365.741910 0.0 0.050000 0 0 55 20 54 20 282793.580020 0.0 0.050000 0 0 56 20 55 20 287188.269590 0.0 0.050000 0 0 27 21 26 21 167152.646540 0.0 0.050000 0 0 29 21 28 21 174294.820360 0.0 0.050000 0 0 33 21 32 21 190946.995490 0.0 0.050000 0 0 34 21 33 21 195250.432890 0.0 0.050000 0 0 35 21 34 21 199572.762080 0.0 0.050000 0 0 36 21 35 21 203908.782810 0.0 0.050000 0 0 37 21 36 21 208254.751850 0.5 0.050000 0 0 37 22 36 22 208254.751850 -0.5 0.050000 0 0 38 21 37 21 212608.842470 0.5 0.050000 0 0 38 22 37 22 212608.842470 -0.5 0.050000 0 0 39 21 38 21 216969.369390 0.5 0.050000 0 0 39 22 38 22 216969.369390 -0.5 0.050000 0 0 41 21 40 21 225705.344630 0.0 0.050000 0 0 42 21 41 21 230078.989930 0.0 0.050000 0 0 43 21 42 21 234455.751660 0.0 0.050000 0 0 44 21 43 21 238834.996150 0.0 0.050000 0 0 26 22 25 22 160012.655720 0.0 0.050000 0 0 28 22 27 22 169364.110970 0.0 0.050000 0 0 33 22 32 22 190932.237370 0.0 0.050000 0 0 34 22 33 22 195244.952190 0.0 0.050000 0 0 35 22 34 22 199570.860700 0.0 0.050000 0 0 36 22 35 22 203908.020230 0.0 0.050000 0 0 55 22 54 22 287098.182160 0.0 0.050000 0 0 27 23 26 23 174790.181390 0.0 0.050000 0 0 32 23 31 23 191724.644970 0.0 0.050000 0 0 33 23 32 23 195801.650790 0.0 0.050000 0 0 34 23 33 23 199983.813780 0.0 0.050000 0 0 35 23 34 23 204226.074080 0.0 0.050000 0 0 36 23 35 23 208504.886930 0.0 0.050000 0 0 37 23 36 23 212807.557740 0.0 0.050000 0 0 38 23 37 23 217127.199720 0.0 0.050000 0 0 42 23 41 23 234507.586350 0.0 0.050000 0 0 41 23 40 23 230151.230700 0.5 0.050000 0 0 41 24 40 24 230151.230700 -0.5 0.050000 0 0 43 23 42 23 238869.350850 0.0 0.050000 0 0 26 24 25 24 162148.565030 0.0 0.050000 0 0 27 24 26 24 167896.106370 0.0 0.050000 0 0 28 24 27 24 173192.007820 0.0 0.050000 0 0 32 24 31 24 191391.238930 0.0 0.050000 0 0 33 24 32 24 195660.417150 0.0 0.050000 0 0 34 24 33 24 199926.370660 0.0 0.050000 0 0 35 24 34 24 204203.571370 0.0 0.050000 0 0 36 24 35 24 208496.278140 0.0 0.050000 0 0 37 24 36 24 212804.395090 0.0 0.050000 0 0 38 24 37 24 217125.897110 0.0 0.050000 0 0 54 24 53 24 287033.069010 0.0 0.050000 0 0 59 24 58 24 308975.738710 0.0 0.0 0 0 60 24 59 24 313366.382780 0.0 0.0 0 0 30 25 29 25 192196.392530 0.0 0.050000 0 0 31 25 30 25 195051.758360 0.0 0.050000 0 0 32 25 31 25 198040.109790 0.0 0.050000 0 0 33 25 32 25 201443.259940 0.0 0.050000 0 0 34 25 33 25 205206.145700 0.0 0.050000 0 0 35 25 34 25 209199.934760 0.0 0.050000 0 0 36 25 35 25 213327.516490 0.0 0.050000 0 0 37 25 36 25 217532.042150 0.0 0.050000 0 0 39 25 38 25 226063.420170 0.0 0.050000 0 0 40 25 39 25 230364.391220 0.0 0.050000 0 0 26 26 25 26 162114.952250 0.0 0.050000 0 0 31 26 30 26 191352.578730 0.0 0.050000 0 0 32 26 31 26 196007.906560 0.0 0.050000 0 0 33 26 32 26 200438.107550 0.0 0.050000 0 0 34 26 33 26 204744.507060 0.0 0.050000 0 0 35 26 34 26 208999.180560 0.0 0.050000 0 0 36 26 35 26 213243.918560 0.0 0.050000 0 0 37 26 36 26 217498.244240 0.0 0.050000 0 0 39 26 38 26 226058.339240 0.0 0.050000 0 0 40 26 39 26 230362.686900 0.0 0.050000 0 0 53 26 52 26 287003.409360 0.0 0.050000 0 0 58 26 57 26 308915.699080 0.0 0.050000 0 0 59 26 58 26 313301.110690 0.0 0.050000 0 0 27 27 26 27 173109.000860 0.0 0.050000 0 0 29 27 28 27 190402.714540 0.0 0.050000 0 0 30 27 29 27 197368.921740 0.0 0.050000 0 0 31 27 30 27 202616.546910 0.0 0.050000 0 0 33 27 32 27 209132.857280 0.0 0.050000 0 0 36 27 35 27 218745.858530 0.0 0.050000 0 0 39 27 38 27 230865.659330 0.0 0.050000 0 0 41 27 40 27 239340.449510 0.0 0.050000 0 0 26 28 25 28 160954.570740 0.0 0.050000 0 0 27 28 26 28 167881.708750 0.0 0.050000 0 0 28 28 27 28 174768.387060 0.0 0.050000 0 0 31 28 30 28 193954.507060 0.0 0.050000 0 0 32 28 31 28 199509.627500 0.0 0.050000 0 0 33 28 32 28 204611.398200 0.0 0.050000 0 0 34 28 33 28 209339.301550 0.0 0.050000 0 0 35 28 34 28 213805.315380 0.0 0.050000 0 0 36 28 35 28 218118.552060 0.0 0.050000 0 0 39 28 38 28 230816.762450 0.0 0.050000 0 0 40 28 39 28 235065.054400 0.0 0.050000 0 0 41 28 40 28 239332.769650 0.0 0.050000 0 0 57 28 56 28 308889.975310 0.0 0.050000 0 0 58 28 57 28 313268.380210 0.0 0.050000 0 0 26 29 25 29 161331.529700 0.0 0.050000 0 0 27 29 26 29 168811.588590 0.0 0.050000 0 0 30 29 29 29 194590.125720 0.0 0.050000 0 0 31 29 30 29 203293.176430 0.0 0.050000 0 0 36 29 35 29 225919.091210 0.0 0.050000 0 0 37 29 36 29 228906.350800 0.0 0.050000 0 0 38 28 37 28 226585.634910 0.0 0.050000 0 0 38 29 37 29 232349.223660 0.0 0.050000 0 0 39 29 38 29 236129.744590 0.0 0.050000 0 0 40 29 39 29 240118.443140 0.0 0.050000 0 0 27 30 26 30 166556.427560 0.0 0.050000 0 0 28 30 27 30 173481.738630 0.0 0.050000 0 0 32 30 31 30 200785.549660 0.0 0.050000 0 0 34 30 33 30 212640.045760 0.0 0.050000 0 0 35 30 34 30 217859.413420 0.0 0.050000 0 0 37 30 36 30 227183.385960 0.0 0.050000 0 0 38 30 37 30 231510.859720 0.0 0.050000 0 0 39 30 38 30 235746.436290 0.0 0.050000 0 0 40 30 39 30 239951.090690 0.0 0.050000 0 0 50 30 49 30 282777.239450 0.0 0.050000 0 0 51 30 50 30 287121.935530 0.0 0.050000 0 0 56 30 55 30 308912.371570 0.0 0.050000 0 0 57 30 56 30 313280.076310 0.0 0.050000 0 0 28 31 27 31 173813.400550 0.0 0.050000 0 0 35 31 34 31 230149.784260 0.0 0.050000 0 0 36 31 35 31 234504.815020 0.0 0.050000 0 0 37 31 36 31 237491.535090 0.0 0.050000 0 0 38 31 37 31 240001.682950 0.0 0.050000 0 0 31 32 30 32 193025.619690 0.0 0.050000 0 0 36 32 35 32 225746.457490 0.0 0.050000 0 0 37 32 36 32 231091.976160 0.0 0.050000 0 0 39 32 38 32 240568.594510 0.0 0.050000 0 0 56 32 55 32 313355.328280 0.0 0.050000 0 0 27 33 26 33 165410.678000 0.0 0.050000 0 0 31 33 30 33 193743.141940 0.0 0.050000 0 0 32 33 31 33 201660.083250 0.0 0.050000 0 0 35 33 34 33 228695.464760 0.0 0.050000 0 0 36 33 35 33 237058.919740 0.0 0.050000 0 0 31 34 30 34 191546.845930 0.0 0.050000 0 0 33 34 32 34 205589.374060 0.0 0.050000 0 0 34 34 33 34 212656.504500 0.0 0.050000 0 0 36 34 35 34 226419.207590 0.0 0.050000 0 0 37 34 36 34 232849.389890 0.0 0.050000 0 0 38 34 37 34 238825.910390 0.0 0.050000 0 0 31 35 30 35 191641.733630 0.0 0.050000 0 0 36 35 35 35 231768.872840 0.0 0.050000 0 0 31 36 30 36 190290.937530 0.0 0.050000 0 0 32 36 31 36 197121.970950 0.0 0.050000 0 0 33 36 32 36 204045.332650 0.0 0.050000 0 0 37 36 36 36 232320.107460 0.0 0.050000 0 0 38 36 37 36 239197.511180 0.0 0.050000 0 0 31 37 30 37 190300.571780 0.0 0.050000 0 0 32 37 31 37 197151.026350 0.0 0.050000 0 0 37 37 36 37 234929.910660 0.0 0.050000 0 0 35 37 34 37 218691.600780 0.0 0.050000 0 0 45 37 44 37 284939.902030 0.0 0.050000 0 0 46 37 45 37 287523.419600 0.0 0.050000 0 0 32 38 31 38 195978.481350 0.0 0.050000 0 0 33 38 32 38 202746.164470 0.0 0.050000 0 0 34 38 33 38 209599.464480 0.0 0.050000 0 0 37 38 36 38 230700.374110 0.0 0.050000 0 0 38 38 37 38 237857.803580 0.0 0.050000 0 0 46 38 45 38 285204.214190 0.0 0.050000 0 0 47 38 46 38 289471.557950 0.0 0.050000 0 0 52 38 51 38 310184.513300 0.0 0.050000 0 0 27 39 26 39 163164.287660 0.0 0.050000 0 0 28 39 27 39 169611.473310 0.0 0.050000 0 0 32 39 31 39 195981.085470 0.0 0.050000 0 0 33 39 32 39 202754.545580 0.0 0.050000 0 0 34 39 33 39 209625.014920 0.0 0.050000 0 0 37 39 36 39 231171.396250 0.0 0.050000 0 0 38 39 37 39 238943.879800 0.0 0.050000 0 0 43 39 42 39 283750.392010 0.0 0.050000 0 0 27 40 26 40 162673.695810 0.0 0.050000 0 0 32 40 31 40 195059.670550 0.5 0.050000 0 0 32 41 31 41 195059.670550 -0.5 0.050000 0 0 34 40 33 40 208416.470830 0.0 0.050000 0 0 37 40 36 40 229045.222070 0.0 0.050000 0 0 38 40 37 40 236104.408910 0.0 0.050000 0 0 45 40 44 40 283789.873820 0.0 0.050000 0 0 46 40 45 40 289180.182860 0.0 0.050000 0 0 51 40 50 40 311199.352780 0.0 0.0 0 0 28 41 27 41 169054.584670 0.0 0.050000 0 0 34 41 33 41 208418.817310 0.0 0.050000 0 0 37 41 36 41 229107.352800 0.0 0.050000 0 0 38 41 37 41 236268.498750 0.0 0.050000 0 0 47 41 46 41 308479.711990 0.0 0.0 0 0 48 41 47 41 311448.188680 0.0 0.050000 0 0 49 41 48 41 313514.630430 0.0 0.050000 0 0 27 42 26 42 162261.379400 0.0 0.050000 0 0 28 42 27 42 168588.134100 0.0 0.050000 0 0 32 42 31 42 194306.314190 0.0 0.050000 0 0 33 42 32 42 200855.021520 0.5 0.050000 0 0 33 43 32 43 200855.021520 -0.5 0.050000 0 0 35 42 34 42 214125.866040 0.0 0.050000 0 0 37 43 36 43 227675.715480 0.0 0.050000 0 0 38 42 37 42 234561.999630 0.0 0.050000 0 0 45 42 44 42 284289.563350 0.0 0.050000 0 0 50 42 49 42 312074.667430 0.0 0.0 0 0 35 43 34 43 214126.276600 0.0 0.050000 0 0 37 42 36 42 227669.152510 0.0 0.050000 0 0 38 43 37 43 234581.249150 0.0 0.050000 0 0 47 43 46 43 309633.357930 0.0 0.0 0 0 27 44 26 44 161910.999030 0.5 0.050000 0 0 27 45 26 45 161910.999030 -0.5 0.050000 0 0 32 44 31 44 193677.071630 0.5 0.050000 0 0 32 45 31 45 193677.071630 -0.5 0.050000 0 0 33 44 32 44 200150.191730 0.5 0.050000 0 0 33 45 32 45 200150.191730 -0.5 0.050000 0 0 35 44 34 44 213240.999630 0.5 0.050000 0 0 35 45 34 45 213240.999630 -0.5 0.050000 0 0 37 44 36 44 226554.041000 0.5 0.050000 0 0 37 45 36 45 226554.041000 -0.5 0.050000 0 0 38 44 37 44 233307.618240 0.0 0.050000 0 0 39 44 38 44 240135.406390 0.0 0.050000 0 0 38 45 37 45 233309.309710 0.0 0.050000 0 0 39 45 38 45 240141.068810 0.0 0.050000 0 0 27 46 26 46 161610.635880 0.0 0.050000 0 0 28 46 27 46 167853.891000 0.0 0.050000 0 0 29 46 28 46 174127.077330 0.0 0.050000 0 0 32 46 31 46 193143.874050 0.0 0.050000 0 0 33 46 32 46 199555.378090 0.0 0.050000 0 0 38 46 37 46 232280.911330 0.5 0.050000 0 0 38 47 37 47 232280.911330 -0.5 0.050000 0 0 39 46 38 46 238987.046850 0.5 0.050000 0 0 39 47 38 47 238987.046850 -0.5 0.050000 0 0 35 47 34 47 212501.901500 0.0 0.050000 0 0 27 48 26 48 161351.057290 0.0 0.050000 0 0 28 48 27 48 167561.604340 0.0 0.050000 0 0 29 48 28 48 173799.009590 0.0 0.050000 0 0 32 48 31 48 192686.849420 0.0 0.050000 0 0 33 48 32 48 199046.939510 0.0 0.050000 0 0 34 48 33 48 205442.198010 0.0 0.050000 0 0 36 49 35 49 218347.493470 0.0 0.050000 0 0 38 48 37 48 231424.061430 0.0 0.050000 0 0 39 48 38 48 238034.952600 0.0 0.050000 0 0 27 50 26 50 161125.484810 0.0 0.050000 0 0 28 50 27 50 167307.685520 0.0 0.050000 0 0 29 50 28 50 173514.162760 0.0 0.050000 0 0 32 50 31 50 192291.701400 0.0 0.050000 0 0 34 50 33 50 204955.802940 0.0 0.050000 0 0 38 50 37 50 230697.118880 0.0 0.050000 0 0 39 50 38 50 237231.721080 0.0 0.050000 0 0 36 51 35 51 217752.122470 0.0 0.050000 0 0 27 52 26 52 160928.400040 0.0 0.050000 0 0 28 52 27 52 167085.858900 0.0 0.050000 0 0 29 52 28 52 173265.358650 0.0 0.050000 0 0 32 52 31 52 191947.388370 0.0 0.050000 0 0 33 52 32 52 198226.374660 0.0 0.050000 0 0 34 52 33 52 204533.353630 0.0 0.050000 0 0 38 52 37 52 230072.326590 0.0 0.050000 0 0 39 52 38 52 236543.972640 0.0 0.050000 0 0 28 54 27 54 166891.096120 0.0 0.050000 0 0 32 54 31 54 191645.566590 0.0 0.050000 0 0 38 54 37 54 229529.830700 0.0 0.050000 0 0 39 54 38 54 235948.488490 0.0 0.050000 0 0 32 56 31 56 191379.579640 0.0 0.050000 0 0 34 56 33 56 203838.581240 0.0 0.050000 0 0 38 56 37 56 229054.972610 0.0 0.050000 0 0 39 56 38 56 235428.257330 0.0 0.050000 0 0 32 58 31 58 191144.143870 0.0 0.050000 0 0 33 58 32 58 197336.965180 0.0 0.050000 0 0 34 58 33 58 203550.951450 0.0 0.050000 0 0 38 58 37 58 228636.503400 0.0 0.050000 0 0 39 58 38 58 234970.649400 0.0 0.050000 0 0 35 59 34 59 209786.828170 0.0 0.050000 0 0 32 60 31 60 190934.932880 0.0 0.050000 0 0 33 60 32 60 197105.338440 0.0 0.050000 0 0 34 60 33 60 203295.303880 0.0 0.050000 0 0 35 60 34 60 209505.419390 0.0 0.050000 0 0 38 60 37 60 228265.638440 0.0 0.050000 0 0 39 60 38 60 234565.394410 0.0 0.050000 0 0 40 60 39 60 240890.166310 0.0 0.050000 0 0 33 62 32 62 196898.794030 0.0 0.050000 0 0 34 62 33 62 203067.342570 0.0 0.050000 0 0 35 63 34 63 209254.474530 0.0 0.050000 0 0 38 62 37 62 227935.257000 0.0 0.050000 0 0 39 62 38 62 234204.847080 0.0 0.050000 0 0 40 62 39 62 240497.040840 0.0 0.050000 0 0 33 64 32 64 196713.966490 0.0 0.050000 0 0 34 64 33 64 202863.302010 0.0 0.050000 0 0 35 65 34 65 209029.865750 0.0 0.050000 0 0 38 64 37 64 227639.985740 0.0 0.050000 0 0 39 64 38 64 233882.561440 0.0 0.050000 0 0 40 64 39 64 240146.003740 0.0 0.050000 0 0 34 66 33 66 202680.215390 0.0 0.050000 0 0 38 66 37 66 227374.887510 0.0 0.050000 0 0 39 66 38 66 233593.353450 0.0 0.050000 0 0 40 66 39 66 239831.120730 0.0 0.050000 0 0 35 67 34 67 208828.238070 0.0 0.050000 0 0 38 68 37 68 227136.115070 0.0 0.050000 0 0 39 68 38 68 233333.000170 0.0 0.050000 0 0 40 68 39 68 239547.613140 0.0 0.050000 0 0 38 70 37 70 226920.455270 0.0 0.050000 0 0 39 70 38 70 233097.733670 0.0 0.050000 0 0 40 70 39 70 239291.632970 0.0 0.050000 0 0 39 72 38 72 232884.733750 0.0 0.050000 0 0 40 72 39 72 239059.821940 0.0 0.050000 0 0 38 74 37 74 226547.651120 0.0 0.050000 0 0 39 74 38 74 232691.097810 0.0 0.050000 0 0 40 74 39 74 238849.171650 0.0 0.050000 1 0 3 1 2 1 15649.790000 0.0 0.0 1 0 4 1 3 1 19940.160000 0.0 0.0 1 0 5 1 4 1 24249.310000 0.0 0.100000 1 0 6 1 5 1 28613.030000 0.0 0.100000 1 0 7 1 6 1 33004.760000 0.0 0.100000 1 0 36 1 35 1 160778.925810 0.0 0.050000 1 0 38 1 37 1 169588.786950 0.0 0.050000 1 0 39 1 38 1 173993.480940 0.0 0.050000 1 0 43 1 42 1 191610.918910 0.0 0.050000 1 0 44 1 43 1 196014.970060 0.0 0.050000 1 0 45 1 44 1 200418.796520 0.0 0.050000 1 0 46 1 45 1 204822.559090 0.0 0.050000 1 0 47 1 46 1 209226.041620 0.0 0.050000 1 0 48 1 47 1 213629.325000 0.0 0.050000 1 0 49 1 48 1 218032.628310 0.0 0.050000 1 0 51 1 50 1 226838.508920 0.0 0.050000 1 0 52 1 51 1 231241.202690 0.0 0.050000 1 0 64 1 63 1 284058.970460 0.0 0.0 1 0 65 1 64 1 288458.898280 0.0 0.050000 1 0 70 1 69 1 310455.990790 0.0 0.050000 1 0 4 2 3 2 19637.150000 0.0 0.0 1 0 5 2 4 2 24136.270000 0.0 0.100000 1 0 6 2 5 2 28576.770000 0.0 0.100000 1 0 7 2 6 2 32994.020000 0.0 0.100000 1 0 35 3 34 3 160657.314130 0.0 0.050000 1 0 37 3 36 3 169466.814610 0.0 0.050000 1 0 38 3 37 3 173871.325600 0.0 0.050000 1 0 42 3 41 3 191488.317830 0.0 0.050000 1 0 43 3 42 3 195892.141820 0.0 0.050000 1 0 44 3 43 3 200295.867420 0.0 0.050000 1 0 45 3 44 3 204699.449480 0.0 0.050000 1 0 46 3 45 3 209102.844630 0.0 0.050000 1 0 47 3 46 3 213506.084520 0.0 0.050000 1 0 48 3 47 3 217909.172160 0.0 0.050000 1 0 50 3 49 3 226714.714850 0.0 0.050000 1 0 51 3 50 3 231117.340570 0.0 0.050000 1 0 52 3 51 3 235519.773140 0.0 0.050000 1 0 53 2 52 2 235643.765870 0.0 0.050000 1 0 63 3 62 3 283936.311650 0.0 0.0 1 0 69 3 68 3 310329.540360 0.0 0.050000 1 0 6 4 5 4 32601.950000 0.0 0.0 1 0 34 5 33 5 160537.479440 0.0 0.050000 1 0 36 5 35 5 169346.338280 0.0 0.050000 1 0 37 5 36 5 173750.582890 0.0 0.050000 1 0 41 5 40 5 191366.406470 0.0 0.050000 1 0 42 5 41 5 195769.986790 0.0 0.050000 1 0 43 5 42 5 200173.411810 0.0 0.050000 1 0 44 5 43 5 204576.834930 0.0 0.050000 1 0 45 5 44 5 208980.026860 0.0 0.050000 1 0 46 5 45 5 213383.004620 0.0 0.050000 1 0 47 5 46 5 217785.869860 0.0 0.050000 1 0 49 5 48 5 226591.109860 0.0 0.050000 1 0 50 5 49 5 230993.515910 0.0 0.050000 1 0 51 5 50 5 235395.545460 0.0 0.050000 1 0 62 5 61 5 283807.151290 0.0 0.050000 1 0 68 5 67 5 310202.354100 0.0 0.050000 1 0 33 7 32 7 160422.712150 0.0 0.050000 1 0 35 7 34 7 169230.110300 0.0 0.050000 1 0 36 7 35 7 173633.643590 0.0 0.050000 1 0 40 7 39 7 191247.243310 0.0 0.050000 1 0 41 7 40 7 195650.388480 0.0 0.050000 1 0 42 7 41 7 200053.396300 0.0 0.050000 1 0 43 7 42 7 204456.607620 0.0 0.0 1 0 44 7 43 7 208858.815940 0.0 0.0 1 0 45 7 44 7 213261.703650 0.0 0.050000 1 0 46 7 45 7 217664.186770 0.0 0.050000 1 0 49 7 48 7 230870.683320 0.0 0.050000 1 0 50 7 49 7 235272.565920 0.0 0.050000 1 0 51 7 50 7 239674.277690 0.0 0.050000 1 0 61 7 60 7 283680.704030 0.0 0.050000 1 0 67 7 66 7 0.0 0.0 0.0 1 0 32 9 31 9 160318.401040 0.0 0.050000 1 0 34 9 33 9 169122.445500 0.0 0.050000 1 0 35 9 34 9 173524.662470 0.0 0.050000 1 0 39 9 38 9 191133.780130 0.0 0.050000 1 0 40 9 39 9 195535.973970 0.0 0.050000 1 0 41 9 40 9 199938.124860 0.0 0.050000 1 0 42 9 41 9 204340.267540 0.0 0.050000 1 0 44 9 43 9 213144.296170 0.0 0.050000 1 0 45 9 44 9 217545.920260 0.0 0.050000 1 0 48 9 47 9 230750.795130 0.0 0.050000 1 0 49 9 48 9 235152.113680 0.0 0.050000 1 0 50 9 49 9 239553.249890 0.0 0.050000 1 0 60 9 59 9 283555.417540 0.0 0.050000 1 0 61 9 60 9 287954.612700 0.0 0.050000 1 0 66 9 65 9 309947.891470 0.0 0.0 1 0 31 11 30 11 160233.939360 0.0 0.050000 1 0 34 11 33 11 173430.234920 0.0 0.050000 1 0 39 11 38 11 195430.933460 0.0 0.050000 1 0 40 11 39 11 199831.618590 0.0 0.050000 1 0 41 11 40 11 204232.212650 0.0 0.050000 1 0 42 11 41 11 208632.909360 0.0 0.050000 1 0 43 11 42 11 213033.617470 0.0 0.050000 1 0 44 11 43 11 217434.289680 0.0 0.050000 1 0 46 11 45 11 226235.358970 0.0 0.050000 1 0 47 11 46 11 230636.074240 0.0 0.050000 1 0 48 11 47 11 235036.621200 0.0 0.050000 1 0 49 11 48 11 239436.752390 0.0 0.050000 1 0 59 11 58 11 283432.488890 0.0 0.050000 1 0 60 11 59 11 287831.080680 0.0 0.050000 1 0 65 11 64 11 309822.099330 0.0 0.0 1 0 30 13 29 13 160186.465630 0.0 0.050000 1 0 32 13 31 13 168968.534250 0.0 0.050000 1 0 37 13 36 13 190944.550710 0.0 0.050000 1 0 38 13 37 13 195341.849730 0.0 0.050000 1 0 39 13 38 13 199739.522830 0.0 0.050000 1 0 40 13 39 13 204137.594730 0.0 0.050000 1 0 41 13 40 13 208535.902220 0.0 0.050000 1 0 42 13 41 13 212934.415740 0.0 0.050000 1 0 43 13 42 13 217333.084860 0.0 0.050000 1 0 45 13 44 13 226130.862620 0.0 0.050000 1 0 46 13 45 13 230529.869610 0.0 0.050000 1 0 47 13 46 13 234928.393500 0.0 0.0 1 0 48 13 47 13 239327.918760 0.0 0.050000 1 0 58 13 57 13 283313.548720 0.0 0.050000 1 0 59 13 58 13 287711.349410 0.0 0.050000 1 0 64 13 63 13 309698.368240 0.0 0.050000 1 0 31 15 30 15 168959.218760 0.5 0.050000 1 0 31 16 30 16 168959.218760 -0.5 0.050000 1 0 32 15 31 15 173339.995840 0.5 0.050000 1 0 32 16 31 16 173339.995840 -0.5 0.050000 1 0 36 15 35 15 190888.072700 0.0 0.050000 1 0 37 15 36 15 195279.350170 0.0 0.050000 1 0 38 15 37 15 199671.527930 0.0 0.050000 1 0 39 15 38 15 204064.904750 0.0 0.050000 1 0 40 15 39 15 208458.868920 0.0 0.050000 1 0 41 15 40 15 212853.584350 0.0 0.050000 1 0 42 15 41 15 217248.845510 0.0 0.050000 1 0 44 15 43 15 226040.619910 0.0 0.050000 1 0 45 15 44 15 230436.922660 0.0 0.050000 1 0 46 15 45 15 234833.450810 0.0 0.050000 1 0 47 15 46 15 239230.328860 0.0 0.050000 1 0 58 15 57 15 287597.905440 0.0 0.0 1 0 63 15 62 15 309579.411880 0.0 0.050000 1 0 28 17 27 17 160387.614310 0.0 0.050000 1 0 30 17 29 17 169052.915580 0.0 0.050000 1 0 31 17 30 17 173405.410370 0.0 0.050000 1 0 35 17 34 17 190881.905600 0.0 0.050000 1 0 36 17 35 17 195261.379520 0.0 0.050000 1 0 37 17 36 17 199643.605170 0.0 0.050000 1 0 38 17 37 17 204028.045310 0.0 0.050000 1 0 39 17 38 17 208414.333570 0.0 0.050000 1 0 40 17 39 17 212802.159240 0.0 0.050000 1 0 41 17 40 17 217191.223580 0.0 0.050000 1 0 43 17 42 17 225972.594210 0.0 0.050000 1 0 44 17 43 17 230364.390150 0.0 0.050000 1 0 45 17 44 17 234757.209280 0.0 0.050000 1 0 46 17 45 17 239150.215700 0.0 0.050000 1 0 56 17 55 17 283096.807540 0.0 0.050000 1 0 62 17 61 17 309466.953550 0.0 0.050000 1 0 29 19 28 19 169395.258120 0.0 0.050000 1 0 30 19 29 19 173659.236170 0.0 0.050000 1 0 31 18 30 18 173404.704390 0.0 0.050000 1 0 34 19 33 19 190965.583540 0.0 0.050000 1 0 35 19 34 19 195321.419150 0.5 0.050000 1 0 35 20 34 20 195321.419150 -0.5 0.050000 1 0 37 19 36 19 204051.388810 0.5 0.050000 1 0 37 20 36 20 204051.388810 -0.5 0.050000 1 0 38 19 37 19 208423.159670 0.0 0.050000 1 0 39 19 38 19 212798.446990 0.0 0.050000 1 0 40 19 39 19 217176.540610 0.0 0.050000 1 0 42 19 41 19 225939.728780 0.0 0.050000 1 0 43 19 42 19 230324.140500 0.0 0.050000 1 0 44 19 43 19 234709.960000 0.0 0.050000 1 0 45 19 44 19 239096.910240 0.0 0.050000 1 0 55 19 54 19 283005.491740 0.0 0.050000 1 0 56 19 55 19 287398.369520 0.0 0.050000 1 0 61 19 60 19 309363.992570 0.0 0.050000 1 0 29 20 28 20 169330.803230 0.0 0.050000 1 0 30 20 29 20 173634.532750 0.0 0.050000 1 0 25 21 24 21 161050.644730 0.0 0.0 1 0 27 21 26 21 167476.739740 0.0 0.0 1 0 29 21 28 21 174595.434490 0.0 0.0 1 0 33 21 32 21 191228.636810 0.0 0.050000 1 0 34 21 33 21 195528.559130 0.0 0.050000 1 0 35 21 34 21 199847.771310 0.0 0.050000 1 0 36 21 35 21 204180.589810 0.0 0.050000 1 0 39 21 38 21 217232.437500 0.5 0.050000 1 0 39 22 38 22 217232.437500 -0.5 0.050000 1 0 41 21 40 21 225962.866150 0.0 0.050000 1 0 42 21 41 21 230333.880830 0.0 0.050000 1 0 44 21 43 21 239084.623930 0.0 0.050000 1 0 54 21 53 21 282932.879180 0.0 0.050000 1 0 55 21 54 21 287321.987650 0.0 0.050000 1 0 60 21 59 21 309273.300060 0.0 0.0 1 0 26 22 25 22 160424.667780 0.0 0.050000 1 0 28 22 27 22 169682.519210 0.0 0.0 1 0 29 22 28 22 174056.071510 0.0 0.050000 1 0 33 22 32 22 191214.212140 0.0 0.050000 1 0 34 22 33 22 195523.293210 0.0 0.050000 1 0 35 22 34 22 199845.862450 0.0 0.050000 1 0 36 22 35 22 204179.818050 0.0 0.050000 1 0 43 22 42 22 234708.086450 0.0 0.050000 1 0 32 23 31 23 192033.320240 0.0 0.050000 1 0 33 23 32 23 196105.317330 0.0 0.050000 1 0 34 23 33 23 200283.087070 0.0 0.050000 1 0 35 23 34 23 204521.408480 0.0 0.050000 1 0 36 23 35 23 208796.336200 0.0 0.050000 1 0 37 23 36 23 213095.454240 0.0 0.050000 1 0 38 23 37 23 217411.446610 0.0 0.050000 1 0 42 23 41 23 234778.719250 0.5 0.050000 1 0 42 24 41 24 234778.719250 -0.5 0.050000 1 0 53 23 52 23 0.000000 0.0 0.0 1 0 54 23 53 23 0.000000 0.0 0.0 1 0 26 24 25 24 0.000000 0.0 0.0 1 0 27 24 26 24 0.000000 0.0 0.0 1 0 28 24 27 24 0.000000 0.0 0.0 1 0 34 24 33 24 200226.948400 0.0 0.050000 1 0 35 24 34 24 204499.445980 0.0 0.050000 1 0 36 24 35 24 208788.061770 0.0 0.050000 1 0 37 24 36 24 213092.341570 0.0 0.050000 1 0 38 24 37 24 217410.286060 0.0 0.050000 1 0 43 24 42 24 239136.946640 0.0 0.050000 1 0 25 25 24 25 0.000000 0.0 0.0 1 0 26 25 25 25 0.000000 0.0 0.0 1 0 30 25 29 25 192491.318460 0.0 0.0 1 0 31 25 30 25 195396.085890 0.0 0.0 1 0 33 25 32 25 0.000000 0.0 0.000000 1 0 35 25 34 25 209514.468880 0.0 0.050000 1 0 37 25 36 25 217837.941140 0.0 0.050000 1 0 39 25 38 25 226361.054690 0.0 0.050000 1 0 40 25 39 25 230658.395310 0.0 0.050000 1 0 42 25 41 25 239295.952010 0.5 0.050000 1 0 42 26 41 26 239295.952010 -0.5 0.050000 1 0 52 25 51 25 282877.455400 0.0 0.050000 1 0 53 25 52 25 287252.983580 0.0 0.050000 1 0 59 25 58 25 313532.401740 0.0 0.050000 1 0 26 26 25 26 0.000000 0.0 0.0 1 0 31 26 30 26 0.000000 0.0 0.0 1 0 32 26 31 26 196373.582230 0.0 0.0 1 0 33 26 32 26 200777.626700 0.0 0.0 1 0 34 26 33 26 205071.642190 0.0 0.0 1 0 35 26 34 26 209317.891620 0.0 0.0 1 0 36 26 35 26 213556.180360 0.0 0.050000 1 0 37 26 36 26 217805.532170 0.0 0.050000 1 0 40 26 39 26 230656.611270 0.0 0.050000 1 0 41 26 40 26 234970.652340 0.0 0.050000 1 0 58 26 57 26 309150.033050 0.0 0.0 1 0 29 27 28 27 0.000000 0.0 0.0 1 0 30 27 29 27 0.000000 0.0 0.0 1 0 31 27 30 27 0.000000 0.0 0.0 1 0 33 27 32 27 0.000000 0.0 0.0 1 0 38 27 37 27 227022.664330 0.0 0.050000 1 0 39 27 38 27 231179.185800 0.0 0.050000 1 0 40 27 39 27 235393.584760 0.0 0.050000 1 0 41 27 40 27 239645.086600 0.0 0.050000 1 0 51 27 50 27 282923.682340 0.0 0.0 1 0 52 27 51 27 287286.641690 0.0 0.0 1 0 57 27 56 27 0.000000 0.0 0.0 1 0 58 27 57 27 0.000000 0.0 0.0 1 0 26 28 25 28 0.000000 0.0 0.0 1 0 27 28 26 28 0.000000 0.0 0.0 1 0 31 28 30 28 0.000000 0.0 0.0 1 0 32 28 31 28 0.000000 0.0 0.0 1 0 33 28 32 28 0.000000 0.0 0.0 1 0 34 28 33 28 0.000000 0.0 0.0 1 0 35 28 34 28 0.000000 0.0 0.0 1 0 36 28 35 28 0.000000 0.0 0.0 1 0 38 28 37 28 226906.816880 0.0 0.050000 1 0 39 28 38 28 231131.879240 0.0 0.050000 1 0 40 28 39 28 235374.845890 0.0 0.050000 1 0 41 28 40 28 239637.827030 0.0 0.050000 1 0 26 29 25 29 0.000000 0.0 0.0 1 0 27 29 26 29 0.000000 0.0 0.0 1 0 30 29 29 29 0.000000 0.0 0.0 1 0 31 29 30 29 0.000000 0.0 0.0 1 0 36 29 35 29 0.000000 0.0 0.0 1 0 37 29 36 29 0.000000 0.0 0.0 1 0 38 29 37 29 0.000000 0.0 0.0 1 0 39 29 38 29 0.000000 0.0 0.0 1 0 40 29 39 29 240440.161130 0.0 0.050000 1 0 50 29 49 29 283054.780890 0.0 0.050000 1 0 50 30 49 30 283054.780890 0.0 0.050000 1 0 51 29 50 29 0.000000 0.0 0.0 1 0 56 29 55 29 0.000000 0.0 0.0 1 0 57 29 56 29 313529.748770 0.0 0.0 1 0 27 41 26 41 162693.303220 0.0 0.0 1 0 28 41 27 41 169080.748230 0.0 0.0 1 0 32 41 31 41 195120.918670 0.0 0.0 1 0 33 41 32 41 201776.405510 0.0 0.0 1 0 34 41 33 41 208502.764680 0.0 0.0 1 0 37 41 36 41 229208.512610 0.0 0.0 1 0 38 41 37 41 236339.624210 0.0 0.0 1 0 27 42 26 42 162678.312670 0.0 0.050000 1 0 28 42 27 42 169027.802000 0.0 0.050000 1 0 32 42 31 42 194844.927540 0.0 0.050000 1 0 33 42 32 42 201420.442440 0.0 0.050000 1 0 34 42 33 42 208052.959820 0.0 0.050000 1 0 37 42 36 42 228356.755340 0.0 0.0 1 0 38 42 37 42 235289.691690 0.0 0.0 1 0 27 44 26 44 162306.147410 0.0 0.050000 1 0 28 44 27 44 168609.148400 0.0 0.050000 1 0 32 44 31 44 194186.176370 0.0 0.050000 1 0 33 44 32 44 200684.116090 0.0 0.050000 1 0 35 44 34 44 213826.955380 0.0 0.050000 1 0 37 44 36 44 227195.717390 0.0 0.050000 1 0 38 44 37 44 233979.496800 0.0 0.0 1 0 39 44 38 44 240840.139010 0.0 0.0 1 0 27 46 26 46 161984.288380 0.0 0.050000 1 0 29 46 28 46 174541.940850 0.0 0.050000 1 0 32 46 31 46 193624.904160 0.0 0.050000 1 0 33 46 32 46 200059.656650 0.0 0.050000 1 0 35 46 34 46 213054.757060 0.0 0.050000 1 0 37 46 36 46 226238.798170 0.0 0.050000 1 0 38 46 37 46 232911.755680 0.0 0.050000 1 0 28 48 27 48 167933.162740 0.0 0.050000 1 0 29 48 28 48 174190.211530 0.0 0.050000 1 0 32 48 31 48 193140.699760 0.0 0.050000 1 0 33 48 32 48 199522.697050 0.0 0.050000 1 0 34 48 33 48 205940.520350 0.0 0.050000 1 0 38 48 37 48 232018.300480 0.0 0.050000 1 0 39 48 38 48 238654.792760 0.0 0.050000 1 0 27 50 26 50 161456.574020 0.0 0.050000 1 0 28 50 27 50 167656.793590 0.0 0.050000 1 0 29 50 28 50 173881.910140 0.0 0.050000 1 0 32 50 31 50 192718.621470 0.0 0.050000 1 0 33 50 32 50 199055.830410 0.0 0.050000 1 0 34 50 33 50 205424.928660 0.0 0.050000 1 0 36 50 35 50 218265.419650 0.0 0.050000 1 0 39 50 38 50 237815.235260 0.0 0.050000 1 0 27 51 26 51 161011.229980 0.0 0.050000 1 0 28 51 27 51 167194.686590 0.0 0.050000 1 0 32 51 31 51 192190.837120 0.0 0.050000 1 0 34 51 33 51 204866.011920 0.0 0.0 1 0 36 51 35 51 217676.957700 0.0 0.0 1 0 29 52 28 52 173609.578270 0.0 0.050000 1 0 32 52 31 52 192347.608540 0.0 0.050000 1 0 34 52 33 52 204973.440960 0.0 0.050000 1 0 36 52 35 52 217719.332270 0.0 0.050000 1 0 38 52 37 52 230598.248800 0.0 0.050000 1 0 39 52 38 52 237092.556350 0.0 0.050000 1 0 28 53 27 53 166944.636580 0.0 0.050000 1 0 32 53 31 53 191814.021430 0.0 0.050000 1 0 33 53 32 53 198096.930110 0.0 0.050000 1 0 34 53 33 53 204408.731420 0.0 0.050000 1 0 36 53 35 53 217124.833170 0.0 0.050000 1 0 38 53 37 53 229976.179060 0.0 0.0 1 0 39 53 38 53 236457.528940 0.0 0.0 1 0 28 54 27 54 167194.686590 0.0 0.050000 1 0 29 54 28 54 173367.306040 0.0 0.050000 1 0 32 54 31 54 192018.905410 0.0 0.050000 1 0 33 54 32 54 198284.055370 0.0 0.050000 1 0 34 54 33 54 204575.060660 0.0 0.050000 1 0 36 54 35 54 217239.403100 0.0 0.050000 1 0 38 54 37 54 230022.577810 0.0 0.050000 1 0 39 54 38 54 236462.895280 0.0 0.050000 1 0 28 55 27 55 166721.859950 0.0 0.050000 1 0 32 55 31 55 191479.921650 0.0 0.050000 1 0 34 55 33 55 204004.512610 0.0 0.050000 1 0 38 55 37 55 229394.079200 0.0 0.050000 1 0 39 55 38 55 235821.213220 0.0 0.0 1 0 32 56 31 56 191725.921170 0.0 0.050000 1 0 33 56 32 56 197961.579660 0.0 0.050000 1 0 34 56 33 56 204220.888970 0.0 0.050000 1 0 36 56 35 56 216814.017340 0.0 0.050000 1 0 38 56 37 56 229514.704290 0.0 0.050000 1 0 39 56 38 56 235908.584840 0.0 0.050000 1 0 32 57 31 57 191181.825820 0.0 0.050000 1 0 34 57 33 57 203645.018280 0.0 0.050000 1 0 35 57 34 57 209913.433060 0.0 0.050000 1 0 38 57 37 57 228880.200410 0.0 0.050000 1 0 39 57 38 57 235260.641630 0.0 0.050000 1 0 33 59 32 59 197108.081560 0.0 0.050000 1 0 34 59 33 59 203323.400200 0.0 0.050000 1 0 35 59 34 59 209561.595310 0.0 0.050000 1 0 38 59 37 59 228423.176230 0.0 0.050000 1 0 39 59 38 59 234763.202850 0.0 0.050000 1 0 40 59 39 59 241131.696000 0.0 0.050000 1 0 34 60 33 60 203618.527530 0.0 0.050000 1 0 35 60 34 60 209845.431720 0.0 0.050000 1 0 38 60 37 60 228658.807540 0.0 0.050000 1 0 32 61 31 61 190674.081530 0.0 0.050000 1 0 33 61 32 61 196844.054520 0.0 0.050000 1 0 34 61 33 61 203034.372750 0.0 0.050000 1 0 35 61 34 61 209245.575690 0.0 0.050000 1 0 38 61 37 61 228014.283090 0.0 0.050000 1 0 39 61 38 61 234318.825090 0.0 0.050000 1 0 40 61 39 61 240649.181480 0.0 0.050000 1 0 32 62 31 62 191011.436980 0.0 0.050000 1 0 33 62 32 62 197176.698630 0.0 0.050000 1 0 34 62 33 62 203360.530850 0.0 0.050000 1 0 35 62 34 62 209563.594640 0.0 0.050000 1 0 38 62 37 62 228294.753390 0.0 0.050000 1 0 39 62 38 62 234582.030970 0.0 0.050000 1 0 40 62 39 62 240892.344970 0.0 0.050000 1 0 33 63 32 63 196605.619960 0.0 0.050000 1 0 34 63 33 63 202773.340680 0.0 0.050000 1 0 35 63 34 63 208960.591500 0.0 0.050000 1 0 39 63 38 63 233919.807730 0.0 0.050000 1 0 40 63 39 63 240216.544650 0.0 0.050000 1 0 33 64 32 64 196962.385980 0.0 0.050000 1 0 34 64 33 64 203126.051520 0.0 0.050000 1 0 35 64 34 64 209307.511810 0.0 0.050000 1 0 38 64 37 64 227965.248260 0.0 0.050000 1 0 39 64 38 64 234224.624950 0.0 0.050000 1 0 40 64 39 64 240505.400120 0.0 0.050000 1 0 33 65 32 65 196389.497160 0.0 0.050000 1 0 34 65 33 65 202537.114110 0.0 0.050000 1 0 35 65 34 65 208702.593710 0.0 0.050000 1 0 38 65 37 65 227314.786470 0.0 0.050000 1 0 39 65 38 65 233559.792820 0.0 0.050000 1 0 40 65 39 65 239826.599830 0.0 0.050000 -1 0 0 0 0 0 0.0 0.0 0.0 /////////////////////////////////////////////////////////////////////////////////////////////// Blends taken care of from properly in ERHAMZ /////////////////////////////////////////////////////////////////////////////////////////////// Almost all sextics but HJ and hJ can be dropped /////////////////////////////////////////////////////////////////////////////////////////////// 5540.156 3573.128 2203.685 0.6848 -0.7017 1.432943 0.258077 0.552416 0.000 0.000 -0.000504 0.0 0.000 0.000 0.002815 1 1 1 1 1 1 1 1 1 1 1 0 1 1 1 1 0 1 0 0 0 7.078494592E+03 1 ! IQ1,IQ2,MEG,KAP,JP,KP,PAR,IVAR (tunneling pars) 2 0 1 0 0 0 76.342843559E+00 1 1 0 -1 0 0 1 -16.177971519E+00 1 1 0 -1 1 0 0 -2.485288063E+00 1 1 0 1 0 0 2 -344.128200889E-03 1 1 0 1 0 0 4 1.883880631E-06 1 1 0 1 0 2 0 -53.616157560E-03 1 1 0 1 0 2 2 -4.428515458E-06 1 1 0 1 0 4 0 4.265838321E-06 1 1 0 1 2 0 0 -35.755937390E-03 1 1 0 1 2 0 2 -7.047470018E-06 1 1 0 1 2 2 0 5.542740970E-06 1 1 0 1 4 0 0 3.467673388E-06 1 1 0 1 4 0 2 -2.335995764E-09 1 2 0 1 0 2 0 5.837120604E-03 1 2 0 1 0 2 2 7.187508233E-06 1 0 0 0 0 0 0 0. 0 Maximum (obs-calc)/err: line 494 = 7.53842 Lines fitted = 789 MICROWAVE RMS = 0.083219 MHz = [(sum(o-c)^2)/n]^(1/2) RMS ERROR = 1.505858 = [(sum((o-c)/err)^2)/n]^(1/2) (Obs-Calc)/Err for worst fitting lines: 494: 7.5 666: 6.3 556: 6.2 891: 6.0 789: -5.9 829: 5.7 832: -5.4 781: -5.4 840: -5.3 145: 5.1 557: -5.0 177: 5.0 320: -4.7 548: 4.7 643: -4.5 549: 4.1 816: 4.0 662: -3.9 381: 3.9 892: 3.9 10: -3.9 843: 3.8 588: -3.7 609: -3.7 257: -3.7 839: 3.7 890: 3.7 825: -3.6 265: -3.6 851: -3.6 833: -3.5 893: 3.5 144: -3.5 869: -3.4 686: 3.4 695: 3.4 278: 3.3 410: 3.3 718: 3.2 277: -3.2 828: 3.2 706: -3.1 640: 3.1 894: 3.1 174: -3.1 33: 3.1 727: -3.0 659: -3.0 593: -2.9 657: 2.9 32 SINGULAR VALUES USED OUT OF 32, STANDARD DEVIATION = 0.15373560D+01 789 NORMAL EQUATIONS STATE OLD PARAMETER STANDARD ERROR CHANGE PREC 1 RHO1 27.877161325E-03 39.3102E-06 0.95699D-09 0.19512D-06 RHO2 0.000000000E+00 2 BETA1 33.968037988E+00 45.0496E-03 0.95861D-06 0.25439D-03 BETA2 0.000000000E+00 ALPHA1 0.000000000E+00 ALPHA2 0.000000000E+00 1 3 A 5.540216767E+03 5.6892E-03 -0.29051D-09 0.33539D-03 1 4 B 3.573087702E+03 2.0808E-03 0.96073D-08 0.70052D-04 1 5 C 2.203686112E+03 493.6032E-06 -0.23810D-08 0.41361D-04 1 6 DELTA J 666.967823630E-03 916.6395E-06 0.12487D-07 0.70552D-05 1 7 DELTA JK -721.981173916E-03 2.9560E-03 -0.48601D-07 0.69250D-04 1 8 DELTA K 1.541914188E+00 11.0423E-03 -0.26102D-07 0.52833D-03 1 9 DDELTA J 263.103934598E-03 465.2571E-06 0.65468D-08 0.48500D-05 1 10 DDELTA K 432.005913984E-03 2.2410E-03 0.16677D-07 0.86511D-04 1 11 PHI J 210.914121561E-06 263.1114E-06 0.39124D-08 0.14852D-05 1 12 PHI JK -4.625997696E-03 748.7768E-06 0.28025D-08 0.21393D-04 1 13 PHI KJ -26.237563303E-03 3.5023E-03 -0.52626D-07 0.85111D-04 1 PHI K 0.000000000E+00 1 14 PPHI J 113.207513855E-06 132.2834E-06 0.19842D-08 0.94234D-06 1 15 PPHI JK -2.204409687E-03 910.2259E-06 0.12959D-07 0.22198D-04 1 16 PPHI K -33.613488337E-03 2.3913E-03 0.20109D-07 0.13544D-03 1 17 1 0 1 0 0 0 7.078494592E+03 9.2118E+00 -0.14307D-04 0.86431D-01 1 18 2 0 1 0 0 0 76.342843559E+00 372.9901E-03 0.27426D-05 0.34972D-01 1 19 1 0-1 0 0 1 -16.177971519E+00 427.2769E-03 -0.70765D-05 0.42099D-02 1 20 1 0-1 1 0 0 -2.485288063E+00 191.0143E-03 -0.43536D-05 0.46545D-01 1 21 1 0 1 0 0 2 -344.128200889E-03 12.9500E-03 -0.28739D-06 0.37703D-03 1 22 1 0 1 0 0 4 1.883880631E-06 6.4717E-06 -0.55414D-10 0.65252D-06 1 23 1 0 1 0 2 0 -53.616157560E-03 8.9497E-03 0.21776D-06 0.26069D-04 1 24 1 0 1 0 2 2 -4.428515458E-06 2.7348E-06 0.59653D-10 0.68130D-07 1 25 1 0 1 0 4 0 4.265838321E-06 1.0833E-06 -0.26294D-10 0.59218D-08 1 26 1 0 1 2 0 0 -35.755937390E-03 4.6390E-03 0.11331D-06 0.14338D-04 1 27 1 0 1 2 0 2 -7.047470018E-06 1.1425E-06 0.13702D-10 0.95835D-07 1 28 1 0 1 2 2 0 5.542740970E-06 755.2182E-09 -0.18656D-10 0.36408D-08 1 29 1 0 1 4 0 0 3.467673388E-06 216.2547E-09 -0.54907D-11 0.43221D-08 1 30 1 0 1 4 0 2 -2.335995764E-09 214.3167E-12 -0.53424D-15 0.42289D-10 1 31 2 0 1 0 2 0 5.837120604E-03 468.3218E-06 0.87932D-08 0.26867D-04 1 32 2 0 1 0 2 2 7.187508233E-06 565.9529E-09 0.91933D-11 0.50745D-07 DERIVED PARAMETERS VALUE STD ERROR INTERNAL MOMENTS OF INERTIA (u*A**2) 3.0498050 0.0053340 0.0000000 0.0000000 REDUCED INTERNAL MOMENTS OF INERTIA (u*A**2) 2.9667309 0.0050729 0.0000000 0.0000000 0.0000000 0.0000000 ANGLES (A,1) 46.2494821 0.0485515 (B,1) 43.7505179 0.0485515 (C,1) 90.0000000 0.0000000 (A,2) 90.0000000 0.0000000 (B,2) 90.0000000 0.0000000 (C,2) 90.0000000 0.0000000 ALPHAQ1 0.0000000 0.0000000 ALPHAQ2 57.2957795 0.0000000 OMEGA 90.0000000 0.0000000 F-NUMBERS (F1,F2,F') (MHz) 170348.80 291.29 0.00 0.00 0.00 0.00 F-NUMBERS (F1,F2,F') (CM-1) 5.6822244 0.0097163 0.0000000 0.0000000 0.0000000 0.0000000 TORSIONAL ENERGY DIFFERENCES (MHz) -21464.5123 28.3908 /////////////////////////////////////////////////////////////////////////////////////////////// 30 parameters of fit /////////////////////////////////////////////////////////////////////////////////////////////// 5540.156 3573.128 2203.685 0.6848 -0.7017 1.432943 0.258077 0.552416 0.000 0.000 -0.000504 0.0 0.000 0.000 0.002815 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 0 0 0 7.078494592E+03 1 ! IQ1,IQ2,MEG,KAP,JP,KP,PAR,IVAR (tunneling pars) 2 0 1 0 0 0 76.342843559E+00 1 1 0 -1 0 0 1 -16.177971519E+00 1 1 0 -1 1 0 0 -2.485288063E+00 1 1 0 1 0 0 2 -344.128200889E-03 1 1 0 1 0 0 4 1.883880631E-06 1 1 0 1 0 2 0 -53.616157560E-03 1 1 0 1 0 2 2 -4.428515458E-06 1 1 0 1 0 4 0 4.265838321E-06 1 1 0 1 2 0 0 -35.755937390E-03 1 1 0 1 2 0 2 -7.047470018E-06 1 1 0 1 2 2 0 5.542740970E-06 1 1 0 1 4 0 0 3.467673388E-06 1 1 0 1 4 0 2 -2.335995764E-09 1 2 0 1 0 2 0 5.837120604E-03 1 2 0 1 0 2 2 7.187508233E-06 1 0 0 0 0 0 0 0. 0 Maximum (obs-calc)/err: line 556 = 6.25849 Lines fitted = 787 MICROWAVE RMS = 0.077025 MHz = [(sum(o-c)^2)/n]^(1/2) RMS ERROR = 1.444014 = [(sum((o-c)/err)^2)/n]^(1/2) (Obs-Calc)/Err for worst fitting lines: 556: 6.3 891: 5.5 840: -5.4 687: 5.3 829: 5.2 832: -5.2 789: -5.2 145: 5.1 177: 4.9 557: -4.9 781: -4.8 320: -4.7 548: 4.6 643: -4.3 10: -4.2 816: 3.9 893: 3.8 257: -3.7 381: 3.6 825: -3.6 265: -3.6 588: -3.6 892: 3.6 609: -3.6 851: -3.6 662: -3.5 706: -3.5 894: 3.5 839: 3.5 549: 3.4 410: 3.4 144: -3.4 833: -3.3 843: 3.3 496: 3.3 278: 3.3 277: -3.2 718: 3.2 869: -3.1 33: 3.1 640: 3.1 895: 3.1 686: 3.1 174: -3.0 828: 3.0 727: -3.0 695: 2.9 890: 2.9 325: 2.9 593: -2.9 30 SINGULAR VALUES USED OUT OF 30, STANDARD DEVIATION = 0.14723488D+01 787 NORMAL EQUATIONS STATE OLD PARAMETER STANDARD ERROR CHANGE PREC 1 RHO1 27.834417587E-03 29.0363E-06 0.44029D-10 0.19994D-06 RHO2 0.000000000E+00 2 BETA1 33.963327282E+00 32.6744E-03 0.37764D-07 0.26115D-03 BETA2 0.000000000E+00 ALPHA1 0.000000000E+00 ALPHA2 0.000000000E+00 1 3 A 5.540219548E+03 5.2228E-03 -0.25987D-09 0.34261D-03 1 4 B 3.573087867E+03 1.5331E-03 -0.86635D-09 0.71475D-04 1 5 C 2.203686584E+03 290.0404E-06 -0.18171D-10 0.42211D-04 1 6 DELTA J 666.069838344E-03 340.8912E-06 0.44110D-11 0.71986D-05 1 7 DELTA JK -717.873217972E-03 2.1998E-03 -0.17797D-08 0.70662D-04 1 8 DELTA K 1.534994302E+00 10.4282E-03 -0.41284D-10 0.53923D-03 1 9 DDELTA J 262.576172684E-03 170.1661E-06 0.41764D-11 0.49483D-05 1 10 DDELTA K 429.516492948E-03 1.3808E-03 -0.70993D-09 0.88274D-04 1 PHI J 0.000000000E+00 1 11 PHI JK -4.623236761E-03 701.0453E-06 0.37285D-10 0.21827D-04 1 12 PHI KJ -24.017085317E-03 2.4638E-03 -0.14854D-08 0.86837D-04 1 PHI K 0.000000000E+00 1 PPHI J 0.000000000E+00 1 13 PPHI JK -3.120231327E-03 307.4898E-06 0.27914D-10 0.22649D-04 1 14 PPHI K -33.500938340E-03 1.5586E-03 -0.48374D-09 0.13819D-03 1 15 1 0 1 0 0 0 7.051438032E+03 9.4995E+00 0.23480D-05 0.88434D-01 1 16 2 0 1 0 0 0 76.072195973E+00 358.7784E-03 0.32407D-06 0.35747D-01 1 17 1 0-1 0 0 1 -14.877286833E+00 438.0911E-03 -0.47420D-06 0.42995D-02 1 18 1 0-1 1 0 0 -2.704255511E+00 171.0861E-03 -0.22990D-06 0.52689D-01 1 19 1 0 1 0 0 2 -310.534241211E-03 11.8606E-03 -0.15822D-07 0.38459D-03 1 20 1 0 1 0 0 4 1.556954952E-06 5.9657E-06 -0.61544D-11 0.66684D-06 1 21 1 0 1 0 2 0 -67.461984158E-03 6.7880E-03 0.10252D-07 0.26582D-04 1 22 1 0 1 0 2 2 -6.763786605E-06 2.0546E-06 0.25309D-11 0.69529D-07 1 23 1 0 1 0 4 0 5.386718511E-06 807.7465E-09 -0.12124D-11 0.60368D-08 1 24 1 0 1 2 0 0 -42.810234943E-03 3.5803E-03 0.54534D-08 0.14624D-04 1 25 1 0 1 2 0 2 -8.348363349E-06 774.8281E-09 0.12315D-12 0.97787D-07 1 26 1 0 1 2 2 0 6.310339065E-06 564.2334E-09 -0.87828D-12 0.37124D-08 1 27 1 0 1 4 0 0 3.686877317E-06 161.8176E-09 -0.26419D-12 0.44084D-08 1 28 1 0 1 4 0 2 -2.579837567E-09 208.4618E-12 -0.60036D-16 0.43102D-10 1 29 2 0 1 0 2 0 5.463241001E-03 443.0843E-06 0.56354D-09 0.27423D-04 1 30 2 0 1 0 2 2 6.680087117E-06 530.6962E-09 0.63010D-12 0.51738D-07 DERIVED PARAMETERS VALUE STD ERROR INTERNAL MOMENTS OF INERTIA (u*A**2) 3.0450146 0.0038864 0.0000000 0.0000000 REDUCED INTERNAL MOMENTS OF INERTIA (u*A**2) 2.9621980 0.0036955 0.0000000 0.0000000 0.0000000 0.0000000 ANGLES (A,1) 46.2444158 0.0352197 (B,1) 43.7555842 0.0352197 (C,1) 90.0000000 0.0000000 (A,2) 90.0000000 0.0000000 (B,2) 90.0000000 0.0000000 (C,2) 90.0000000 0.0000000 ALPHAQ1 0.0000000 0.0000000 ALPHAQ2 57.2957795 0.0000000 OMEGA 90.0000000 0.0000000 F-NUMBERS (F1,F2,F') (MHz) 170609.48 212.84 0.00 0.00 0.00 0.00 F-NUMBERS (F1,F2,F') (CM-1) 5.6909196 0.0070997 0.0000000 0.0000000 0.0000000 0.0000000 TORSIONAL ENERGY DIFFERENCES (MHz) -21382.5307 29.1960 /////////////////////////////////////////////////////////////////////////////////////////////// with HK /////////////////////////////////////////////////////////////////////////////////////////////// 5540.156 3573.128 2203.685 0.6848 -0.7017 1.432943 0.258077 0.552416 0.000 0.000 -0.000504 0.0 0.000 0.000 0.002815 1 1 1 1 1 1 1 1 0 1 1 1 0 1 1 1 0 1 0 0 0 7.078494592E+03 1 ! IQ1,IQ2,MEG,KAP,JP,KP,PAR,IVAR (tunneling pars) 2 0 1 0 0 0 76.342843559E+00 1 1 0 -1 0 0 1 -16.177971519E+00 1 1 0 -1 1 0 0 -2.485288063E+00 1 1 0 1 0 0 2 -344.128200889E-03 1 1 0 1 0 0 4 1.883880631E-06 1 1 0 1 0 2 0 -53.616157560E-03 1 1 0 1 0 2 2 -4.428515458E-06 1 1 0 1 0 4 0 4.265838321E-06 1 1 0 1 2 0 0 -35.755937390E-03 1 1 0 1 2 0 2 -7.047470018E-06 1 1 0 1 2 2 0 5.542740970E-06 1 1 0 1 4 0 0 3.467673388E-06 1 1 0 1 4 0 2 -2.335995764E-09 1 2 0 1 0 2 0 5.837120604E-03 1 2 0 1 0 2 2 7.187508233E-06 1 0 0 0 0 0 0 0. 0 Maximum (obs-calc)/err: line 891 = 5.34765 Lines fitted = 788 MICROWAVE RMS = 0.076042 MHz = [(sum(o-c)^2)/n]^(1/2) RMS ERROR = 1.427567 = [(sum((o-c)/err)^2)/n]^(1/2) (Obs-Calc)/Err for worst fitting lines: 891: 5.3 832: -5.3 840: -5.3 789: -5.2 829: 5.2 145: 5.1 177: 5.0 687: 5.0 781: -4.7 320: -4.6 719: 4.6 643: -4.5 548: 4.4 765: -4.3 766: -4.1 10: -4.1 816: 3.9 662: -3.7 893: 3.7 588: -3.7 257: -3.6 661: 3.6 265: -3.6 706: -3.5 609: -3.5 825: -3.5 833: -3.4 892: 3.4 851: -3.4 894: 3.4 278: 3.4 381: 3.4 144: -3.4 839: 3.3 410: 3.3 843: 3.3 496: 3.2 549: 3.2 33: 3.2 640: 3.2 686: 3.1 277: -3.1 869: -3.1 828: 3.0 695: 3.0 174: -3.0 659: -3.0 895: 3.0 593: -2.9 607: 2.8 31 SINGULAR VALUES USED OUT OF 31, STANDARD DEVIATION = 0.14565042D+01 788 NORMAL EQUATIONS STATE OLD PARAMETER STANDARD ERROR CHANGE PREC 1 RHO1 27.850295007E-03 29.2168E-06 0.28213D-10 0.19147D-06 RHO2 0.000000000E+00 2 BETA1 33.993642972E+00 33.8534E-03 0.24526D-07 0.25013D-03 BETA2 0.000000000E+00 ALPHA1 0.000000000E+00 ALPHA2 0.000000000E+00 1 3 A 5.540227933E+03 6.0215E-03 -0.10521D-09 0.32753D-03 1 4 B 3.573089421E+03 1.5973E-03 -0.52737D-09 0.68436D-04 1 5 C 2.203686283E+03 313.0231E-06 0.24856D-10 0.40344D-04 1 6 DELTA J 666.337834291E-03 350.8706E-06 0.13632D-10 0.68349D-05 1 7 DELTA JK -716.306498020E-03 2.1656E-03 -0.98676D-09 0.67249D-04 1 8 DELTA K 1.571076737E+00 17.2306E-03 0.30602D-09 0.51340D-03 1 9 DDELTA J 262.721618992E-03 176.1612E-06 0.40230D-11 0.47246D-05 1 10 DDELTA K 432.272031050E-03 1.7650E-03 -0.39308D-09 0.83076D-04 1 PHI J 0.000000000E+00 1 11 PHI JK -5.909905388E-03 783.4101E-06 0.87517D-11 0.20519D-04 1 12 PHI KJ -17.443533832E-03 3.0130E-03 -0.71030D-09 0.82703D-04 1 13 PHI K 40.973997092E-03 16.7341E-03 0.24566D-09 0.63756D-03 1 PPHI J 0.000000000E+00 1 14 PPHI JK -3.715220884E-03 352.9574E-06 0.11843D-10 0.21021D-04 1 15 PPHI K -30.497355193E-03 2.1770E-03 -0.33169D-09 0.12877D-03 1 16 1 0 1 0 0 0 7.045171660E+03 9.6037E+00 0.10873D-05 0.84529D-01 1 17 2 0 1 0 0 0 75.516882974E+00 385.7060E-03 0.17852D-06 0.34195D-01 1 18 1 0-1 0 0 1 -14.648038313E+00 441.0483E-03 -0.28927D-06 0.41168D-02 1 19 1 0-1 1 0 0 -2.640424486E+00 170.3329E-03 -0.14381D-06 0.50418D-01 1 20 1 0 1 0 0 2 -311.188207870E-03 11.7370E-03 -0.97259D-08 0.36836D-03 1 21 1 0 1 0 0 4 18.378816655E-06 8.9637E-06 -0.42079D-11 0.63812D-06 1 22 1 0 1 0 2 0 -64.286924908E-03 6.7987E-03 0.64772D-08 0.25484D-04 1 23 1 0 1 0 2 2 -5.312667029E-06 2.0632E-06 0.16973D-11 0.66602D-07 1 24 1 0 1 0 4 0 5.021375767E-06 806.3812E-09 -0.78105D-12 0.57824D-08 1 25 1 0 1 2 0 0 -41.557255663E-03 3.5640E-03 0.34522D-08 0.14018D-04 1 26 1 0 1 2 0 2 -6.194568282E-06 1.2128E-06 0.15183D-13 0.93696D-07 1 27 1 0 1 2 2 0 6.095514637E-06 563.2522E-09 -0.56144D-12 0.35583D-08 1 28 1 0 1 4 0 0 3.643504171E-06 161.3348E-09 -0.16386D-12 0.42156D-08 1 29 1 0 1 4 0 2 -2.479575444E-09 205.7231E-12 -0.47216D-16 0.41139D-10 1 30 2 0 1 0 2 0 4.971841616E-03 463.1060E-06 0.35603D-09 0.26244D-04 1 31 2 0 1 0 2 2 6.676430554E-06 520.8231E-09 0.35347D-12 0.49431D-07 A 5.540227933E+03 6.0215E-03 B 3.573089421E+03 1.5973E-03 C 2.203686283E+03 313.0231E-06 DELTA J 666.337834291E-03 350.8706E-06 DELTA JK -716.306498020E-03 2.1656E-03 DELTA K 1.571076737E+00 17.2306E-03 DDELTA J 262.721618992E-03 176.1612E-06 DDELTA K 432.272031050E-03 1.7650E-03 PHI J 0.000000000E+00 PHI JK -5.909905388E-03 783.4101E-06 PHI KJ -17.443533832E-03 3.0130E-03 PHI K 40.973997092E-03 16.7341E-03 PPHI J 0.000000000E+00 PPHI JK -3.715220884E-03 352.9574E-06 PPHI K -30.497355193E-03 2.1770E-03 eps_1 7.045171660E+03 9.6037E+00 eps_2 75.516882974E+00 385.7060E-03 B010_1 -14.648038313E+00 441.0483E-03 B001_1 -2.640424486E+00 170.3329E-03 B020_1 -311.188207870E-03 11.7370E-03 B040_1 18.378816655E-06 8.9637E-06 B200_1 -64.286924908E-03 6.7987E-03 B220_1 -5.312667029E-06 2.0632E-06 B400_1 5.021375767E-06 806.3812E-09 B002_1 -41.557255663E-03 3.5640E-03 B022_1 -6.194568282E-06 1.2128E-06 B202_1 6.095514637E-06 563.2522E-09 B004_1 3.643504171E-06 161.3348E-09 B024_1 -2.479575444E-09 205.7231E-12 B200_2 4.971841616E-03 463.1060E-06 B220_2 6.676430554E-06 520.8231E-09 DERIVED PARAMETERS VALUE STD ERROR INTERNAL MOMENTS OF INERTIA (u*A**2) 3.0474780 0.0039319 0.0000000 0.0000000 REDUCED INTERNAL MOMENTS OF INERTIA (u*A**2) 2.9645478 0.0037391 0.0000000 0.0000000 0.0000000 0.0000000 ANGLES (A,1) 46.2771215 0.0364777 (B,1) 43.7228785 0.0364777 (C,1) 90.0000000 0.0000000 (A,2) 90.0000000 0.0000000 (B,2) 90.0000000 0.0000000 (C,2) 90.0000000 0.0000000 ALPHAQ1 0.0000000 0.0000000 ALPHAQ2 57.2957795 0.0000000 OMEGA 90.0000000 0.0000000 F-NUMBERS (F1,F2,F') (MHz) 170474.24 215.01 0.00 0.00 0.00 0.00 F-NUMBERS (F1,F2,F') (CM-1) 5.6864087 0.0071720 0.0000000 0.0000000 0.0000000 0.0000000 TORSIONAL ENERGY DIFFERENCES (MHz) -21362.0656 29.5839 /////////////////////////////////////////////////////////////////////////////////////////////// 30 parameters, best fit so far /////////////////////////////////////////////////////////////////////////////////////////////// 5540.156 3573.128 2203.685 0.6848 -0.7017 1.432943 0.258077 0.552416 0.000 0.000 0.00 0.0 0.000 0.000 0.00 1 1 1 1 1 1 1 1 0 1 1 0 0 1 1 1 0 1 0 0 0 7.078494592E+03 1 ! IQ1,IQ2,MEG,KAP,JP,KP,PAR,IVAR (tunneling pars) 2 0 1 0 0 0 76.342843559E+00 1 1 0 -1 0 0 1 -16.177971519E+00 1 1 0 -1 1 0 0 -2.485288063E+00 1 1 0 1 0 0 2 -344.128200889E-03 1 1 0 1 0 0 4 1.883880631E-06 1 1 0 1 0 2 0 -53.616157560E-03 1 1 0 1 0 2 2 0.000000000E-00 0 1 0 1 0 4 0 4.265838321E-06 1 1 0 1 2 0 0 -35.755937390E-03 1 1 0 1 2 0 2 -7.047470018E-06 1 1 0 1 2 2 0 5.542740970E-06 1 1 0 1 4 0 0 3.467673388E-06 1 1 0 1 4 0 2 -2.335995764E-09 1 2 0 1 0 0 2 5.837120604E-03 1 2 0 1 0 2 0 5.837120604E-03 1 2 0 1 0 2 2 7.187508233E-06 1 0 0 0 0 0 0 0. 0 Maximum (obs-calc)/err: line 789 = 5.47100 Lines fitted = 788 MICROWAVE RMS = 0.072537 MHz = [(sum(o-c)^2)/n]^(1/2) RMS ERROR = 1.375534 = [(sum((o-c)/err)^2)/n]^(1/2) (Obs-Calc)/Err for worst fitting lines: 789: -5.5 832: -5.2 687: 5.1 781: -5.1 719: 5.1 10: -5.0 145: 4.8 891: 4.7 177: 4.6 548: 4.6 661: 4.4 829: 4.3 320: -4.3 706: -4.0 588: -4.0 816: 3.9 549: 3.9 643: -3.8 765: -3.6 381: 3.5 840: -3.5 257: -3.5 609: -3.5 878: -3.4 766: -3.4 278: 3.4 265: -3.3 610: 3.3 144: -3.3 839: 3.2 496: 3.2 833: -3.2 869: -3.2 410: 3.2 893: 3.1 659: -3.0 277: -3.0 894: 3.0 256: 3.0 325: 2.9 174: -2.9 472: -2.9 161: -2.9 662: -2.8 727: -2.8 884: 2.8 892: 2.8 33: 2.7 357: 2.7 593: -2.7 30 SINGULAR VALUES USED OUT OF 30, STANDARD DEVIATION = 0.14024906D+01 788 NORMAL EQUATIONS STATE OLD PARAMETER STANDARD ERROR CHANGE PREC 1 RHO1 27.860682109E-03 11.2171E-06 -0.19912D-12 0.18924D-06 RHO2 0.000000000E+00 2 BETA1 33.888592315E+00 23.7186E-03 0.14230D-08 0.24645D-03 BETA2 0.000000000E+00 ALPHA1 0.000000000E+00 ALPHA2 0.000000000E+00 1 3 A 5.540202974E+03 5.3076E-03 -0.98265D-09 0.32590D-03 1 4 B 3.573089513E+03 1.4541E-03 -0.31653D-10 0.68095D-04 1 5 C 2.203686432E+03 276.9539E-06 0.42424D-10 0.40143D-04 1 6 DELTA J 666.371224226E-03 316.0378E-06 0.17410D-10 0.68008D-05 1 7 DELTA JK -715.878484477E-03 2.0486E-03 -0.37908D-10 0.66914D-04 1 8 DELTA K 1.513049377E+00 10.0124E-03 -0.24107D-08 0.51083D-03 1 9 DDELTA J 262.729851680E-03 157.7996E-06 0.24147D-11 0.47010D-05 1 10 DDELTA K 434.369403592E-03 1.4350E-03 0.57150D-10 0.82662D-04 1 PHI J 0.000000000E+00 1 11 PHI JK -3.876497271E-03 642.5777E-06 0.17216D-09 0.20417D-04 1 12 PHI KJ -22.710306148E-03 2.1567E-03 -0.47601D-09 0.82291D-04 1 PHI K 0.000000000E+00 1 PPHI J 0.000000000E+00 1 13 PPHI JK -2.488494760E-03 291.9393E-06 0.47699D-10 0.20916D-04 1 14 PPHI K -29.470484143E-03 1.5267E-03 0.42653D-09 0.12812D-03 1 15 1 0 1 0 0 0 7.115618301E+03 11.9866E+00 -0.74661D-06 0.84367D-01 1 16 2 0 1 0 0 0 77.433368028E+00 374.3279E-03 -0.11038D-07 0.34110D-01 1 17 1 0-1 0 0 1 -17.978353700E+00 486.2004E-03 0.35850D-07 0.40956D-02 1 18 1 0-1 1 0 0 -3.230618712E+00 108.4654E-03 0.23813D-08 0.50039D-01 1 19 1 0 1 0 0 2 -394.958482009E-03 11.5024E-03 0.14086D-08 0.36658D-03 1 20 1 0 1 0 0 4 40.564311502E-06 7.1380E-06 -0.13904D-12 0.63471D-06 1 21 1 0 1 0 2 0 -55.587607642E-03 3.0321E-03 -0.98229D-10 0.25361D-04 1 1 0 1 0 2 2 0.000000000E+00 1 22 1 0 1 0 4 0 4.842399249E-06 315.2588E-09 0.76480D-14 0.57548D-08 1 23 1 0 1 2 0 0 -35.529953975E-03 1.5986E-03 -0.39561D-10 0.13949D-04 1 24 1 0 1 2 0 2 -5.271110258E-06 831.2002E-09 -0.10258D-13 0.93226D-07 1 25 1 0 1 2 2 0 5.716950285E-06 224.6432E-09 0.16590D-14 0.35410D-08 1 26 1 0 1 4 0 0 3.319186681E-06 80.7651E-09 0.19870D-14 0.41949D-08 1 27 1 0 1 4 0 2 -1.924452830E-09 208.0252E-12 -0.38593D-16 0.40943D-10 1 28 2 0 1 0 0 2 20.159321693E-03 2.3406E-03 0.12708D-11 0.17862D-03 1 29 2 0 1 0 2 0 8.691522207E-03 453.4176E-06 -0.10377D-11 0.26110D-04 1 30 2 0 1 0 2 2 5.508789030E-06 518.8878E-09 -0.37421D-13 0.49193D-07 A 5.540202974E+03 5.3076E-03 5540.2030(53) B 3.573089513E+03 1.4541E-03 3573.0895(15) C 2.203686432E+03 276.9539E-06 2203.68643(28) DELTA J 666.371224226E-03 316.0378E-06 0.66637(32) DELTA JK -715.878484477E-03 2.0486E-03 -0.7159(20) DELTA K 1.513049377E+00 10.0124E-03 1.513(10) DDELTA J 262.729851680E-03 157.7996E-06 0.26273(16) DDELTA K 434.369403592E-03 1.4350E-03 0.4344(14) PHI J 0.000000000E+00 0.0 PHI JK -3.876497271E-03 642.5777E-06 -0.00388(64) PHI KJ -22.710306148E-03 2.1567E-03 -0.0227(22) PHI K 0.000000000E+00 0.0 PPHI J 0.000000000E+00 0.0 PPHI JK -2.488494760E-03 291.9393E-06 -0.00249(29) PPHI K -29.470484143E-03 1.5267E-03 -0.0295(15) eps_1 /MHz 7.115618301E+03 11.9866E+00 7116(12) B200_1 /MHz -55.587607642E-03 3.0321E-03 -0.0556(30) B020_1 /MHz -394.958482009E-03 11.5024E-03 0.395(12) B002_1 /MHz -35.529953975E-03 1.5986E-03 -0.0355(16) B220_1 /kHz B202_1 /kHz 5.716950285E-06 224.6432E-09 0.00572(22) B022_1 /kHz -5.271110258E-06 831.2002E-09 -0.00527(83) B400_1 /kHz 4.842399249E-06 315.2588E-09 0.00484(32) B040_1 /kHz 40.564311502E-06 7.1380E-06 0.0406(71) B004_1 /kHz 3.319186681E-06 80.7651E-09 0.003319(81) B024_1 / Hz -1.924452830E-09 208.0252E-12 -0.00192(21) / eps_2 /MHz 77.433368028E+00 374.3279E-03 77.43(37) B200_2 /MHz 8.691522207E-03 453.4176E-06 0.00869(45) B020_2 /MHz 20.159321693E-03 2.3406E-03 0.0202(23) B220_2 /MHz 5.508789030E-06 518.8878E-09 0.00551(52) / B010_1 /MHz -17.978353700E+00 486.2004E-03 -17.98(49) B001_1 /MHz -3.230618712E+00 108.4654E-03 -3.23(11) DERIVED PARAMETERS VALUE STD ERROR INTERNAL MOMENTS OF INERTIA (u*A**2) 3.0460935 0.0016405 REDUCED INTERNAL MOMENTS OF INERTIA (u*A**2) 2.9631675 0.0015643 ANGLES (A,1) 46.1636994 0.0256025 (B,1) 43.8363006 0.0256025 (C,1) 90.0000000 0.0000000 ALPHAQ1 0.0000000 0.0000000 ALPHAQ2 57.2957795 0.0000000 OMEGA 90.0000000 0.0000000 F-NUMBERS (F1,F2,F') (MHz) 170553.66 90.03 0.00 0.00 0.00 0.00 F-NUMBERS (F1,F2,F') (CM-1) 5.6890576 0.0030032 TORSIONAL ENERGY DIFFERENCES (MHz) -21579.1550 36.7881 ///////////////////////////////////////////////////////////////////////////////////////////////