Gaussian 09 GINC-KIMIK2064 CBGUSER 000074404 EM64L-G09RevD.01 6-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 111.5092 0 1 AuxInfo=1/0/N:4,5,6,7,1,2,3/E:(2,3)(6,7)/CRV:1.3,2.3,3.3,4.3,6.2,7.2/rA:10ClN2N2C3C3C3C3HHH/rB:;;;s2s4;s3s4;s1s2s3;s4;s5;s6;/rC:;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-22523.inp" -scrdir="/scratch/" chk=000074404.chk nprocshared=4 mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000074404 1 2 3 4 5 6 7 8 9 10 35 14 14 12 12 12 12 1 1 1 34.9688527 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 3 2 2 0 0 0 0 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 1 2 2 3 3 4 4 4 5 6 7 5 7 6 7 5 6 8 9 10 1.7092 1.3492 1.3466 1.3491 1.3466 1.3798 1.38 1.0816 1.0848 1.0849 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 5 6 5 5 6 2 2 4 3 3 4 1 1 2 2 3 4 4 4 5 5 5 6 6 6 7 7 7 7 7 6 8 8 4 9 9 4 10 10 2 3 3 114.9579 114.9554 115.6362 122.1876 122.1761 123.7495 115.2978 120.9526 123.753 115.3029 120.9441 116.5184 116.5337 126.9479 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 7 7 5 5 7 7 6 6 6 6 8 8 5 5 8 8 2 2 2 2 3 3 3 3 4 4 4 4 4 4 4 4 5 5 7 7 6 6 7 7 5 5 5 5 6 6 6 6 4 9 1 3 4 10 1 2 2 9 2 9 3 10 3 10 0.0055 179.9884 -179.956 0.0141 -0.0055 -179.9943 179.956 -0.0141 -0.0222 179.9959 179.9959 0.014 0.0222 -179.9897 -179.9959 -0.0078 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 3.00e-01 1.00e-07 1.00e-06 50 100 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 10 10 10 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 1378 NPrTT= 6941 LenC2= 1323 LenP2D= 5022. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 84 RedAO= T EigKep= 2.98D-03 NBF= 84 NBsUse= 84 1.00D-06 EigRej= -1.00D+00 NBFU= 84 Using GEDIIS/GDIIS optimizer. local minimum Step number 4 out of a maximum of 50 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.02354 0.02356 0.02357 0.02359 0.02369 0.02392 0.02405 0.15639 0.16000 0.16000 0.16417 0.22899 0.23172 0.25000 0.30231 0.35418 0.35593 0.36012 0.46263 0.47795 0.52268 0.53337 0.55672 0.58957 RFO step: Lambda=-2.92192435D-06 EMin= 2.35443181D-02 1 2 3 0.00115663 0.00000203 0.00000000 0.00000242 0.00000145 0.00000145 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 3.42036 2.58609 2.55884 2.58609 2.55885 2.67171 2.67170 2.06492 2.06904 2.06904 2.01238 2.01237 2.03851 2.12233 2.12234 2.13259 2.02291 2.12769 2.13259 2.02290 2.12769 2.02263 2.02263 2.23792 -0.00028 3.14120 3.14030 0.00091 0.00029 -3.14120 -3.14031 -0.00092 -0.00023 3.14148 3.14145 -0.00003 0.00022 -3.14149 -3.14145 0.00002 0.00022 -0.00016 -0.00019 -0.00016 -0.00020 -0.00030 -0.00030 -0.00018 -0.00001 -0.00001 0.00008 0.00008 0.00023 -0.00012 -0.00012 -0.00016 -0.00002 0.00018 -0.00016 -0.00002 0.00018 0.00003 0.00004 -0.00007 0.00002 0.00003 0.00008 -0.00006 -0.00002 -0.00003 -0.00008 0.00006 0.00002 0.00001 0.00001 0.00000 -0.00002 -0.00001 -0.00001 0.00000 0.00105 0.00014 -0.00028 0.00015 -0.00028 -0.00012 -0.00012 -0.00004 -0.00005 -0.00005 -0.00015 -0.00015 -0.00001 0.00000 0.00001 0.00001 0.00004 -0.00005 0.00001 0.00003 -0.00005 -0.00014 -0.00014 0.00029 -0.00002 -0.00002 -0.00007 0.00005 0.00002 0.00002 0.00007 -0.00005 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00051 -0.00033 -0.00026 -0.00033 -0.00027 -0.00053 -0.00052 -0.00045 0.00001 0.00001 0.00037 0.00037 0.00110 -0.00054 -0.00055 -0.00081 -0.00029 0.00109 -0.00081 -0.00028 0.00109 0.00011 0.00012 -0.00022 0.00081 0.00114 0.00365 -0.00267 -0.00082 -0.00115 -0.00364 0.00267 0.00068 0.00032 0.00035 -0.00001 -0.00068 -0.00032 -0.00034 0.00001 0.00156 -0.00019 -0.00054 -0.00019 -0.00055 -0.00065 -0.00065 -0.00049 -0.00005 -0.00004 0.00022 0.00022 0.00108 -0.00054 -0.00055 -0.00080 -0.00025 0.00104 -0.00080 -0.00025 0.00105 -0.00004 -0.00003 0.00006 0.00079 0.00112 0.00358 -0.00262 -0.00080 -0.00113 -0.00357 0.00263 0.00067 0.00032 0.00034 -0.00001 -0.00067 -0.00032 -0.00034 0.00001 3.42193 2.58590 2.55830 2.58590 2.55831 2.67106 2.67105 2.06443 2.06900 2.06900 2.01260 2.01259 2.03960 2.12179 2.12180 2.13179 2.02266 2.12873 2.13180 2.02265 2.12873 2.02260 2.02259 2.23799 0.00051 -3.14086 -3.13931 -0.00171 -0.00051 3.14086 3.13931 0.00171 0.00045 -3.14138 -3.14139 -0.00003 -0.00045 3.14138 3.14139 0.00003 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000303 0.000126 0.004703 0.001157 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.596874e-06 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 1 2 2 3 3 4 4 4 5 6 7 5 7 6 7 5 6 8 9 10 1.81 1.3685 1.3541 1.3685 1.3541 1.4138 1.4138 1.0927 1.0949 1.0949 -DE/DX = 0.0002|-DE/DX = -0.0002|-DE/DX = -0.0002|-DE/DX = -0.0002|-DE/DX = -0.0002|-DE/DX = -0.0003|-DE/DX = -0.0003|-DE/DX = -0.0002|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 5 6 5 5 6 2 2 4 3 3 4 1 1 2 2 3 4 4 4 5 5 5 6 6 6 7 7 7 7 7 6 8 8 4 9 9 4 10 10 2 3 3 115.3007 115.3005 116.7982 121.6005 121.6013 122.1884 115.904 121.9076 122.1886 115.9038 121.9076 115.8884 115.8879 128.2236 -DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0002|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = -0.0002|-DE/DX = 0.0|-DE/DX = 0.0002|-DE/DX = -0.0002|-DE/DX = 0.0|-DE/DX = 0.0002|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 7 7 5 5 7 7 6 6 6 6 8 8 5 5 8 2 2 2 2 3 3 3 3 4 4 4 4 4 4 4 5 5 7 7 6 6 7 7 5 5 5 5 6 6 6 4 9 1 3 4 10 1 2 2 9 2 9 3 10 3 -0.016 -180.0223 -180.074 0.0524 0.0165 180.0227 180.0737 -0.0527 -0.0129 -180.0062 -180.0082 -0.0016 0.0126 180.0061 180.0079 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 111.5092 AuxInfo=1/0/N:4,5,6,7,1,2,3/E:(2,3)(6,7)/CRV:1.3,2.3,3.3,4.3,6.2,7.2/rA:10ClN2N2C3C3C3C3HHH/rB:;;;s2s4;s3s4;s1s2s3;s4;s5;s6;/rC:;;;;;;;;;; 0.000000 2.605796 0.000000 2.605935 2.409700 0.000000 4.394200 2.406801 2.406951 0.000000 3.841124 1.349205 2.729317 1.379795 0.000000 3.841090 2.729181 1.349108 1.380018 2.335800 0.000000 1.709200 1.346650 1.346560 2.685000 2.273129 2.272940 0.000000 5.475800 3.386744 3.386780 1.081600 2.159552 2.159636 3.766600 0.000000 4.666767 2.061054 3.813200 2.149474 1.084776 3.339687 3.242881 2.513933 0.000000 4.666947 3.813161 2.061098 2.149661 3.339687 1.084867 3.242825 2.513880 4.271200 0.000000 6.1195577 1.6916472 1.3252928 -9.97373 -9.94274 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-0.01438 -0.00329 -0.00551 0.01500 -0.00420 0.00450 0.00260 0.04199 0.00469 -0.00007 -0.11823 -0.11678 0.00000 0.00000 0.06705 -0.04743 0.00000 0.14713 0.00007 0.00003 -0.14184 0.00029 -0.84101 -0.39962 0.39732 -0.15824 0.05526 -0.34108 1.42484 0.00047 -0.63037 -2.02723 0.00023 0.00281 -0.38554 -1.09763 0.00078 -0.48301 0.23039 -0.49796 -0.99287 -3.11254 0.05847 -0.75700 -1.92053 -0.67559 0.51615 -0.00093 -1.06987 0.00033 0.53782 -0.40883 1.10785 0.79028 -0.00298 -0.22369 1.38899 -1.33812 3.14809 -1.77285 -2.13915 -1.51012 0.00002 -0.05661 -0.00393 -0.19279 -0.11008 -0.09919 -0.09659 0.00187 -0.05011 -0.10461 -0.03993 1 Cl 1S 2S 3S 4S 5S 6S 7PX 7PY 7PZ 8PX 8PY 8PZ 9PX 9PY 9PZ 10PX 10PY 10PZ 2 N 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 3 N 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 4 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 5 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 6 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 7 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 8 H 1S 2S 9 H 1S 2S 10 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 1 Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 H 1S|2S|9 H 1S|2S|10 H 1S|2S 0.74383 1.22401 0.97456 1.00970 1.09956 0.89353 1.78284 1.80461 1.80118 0.22801 0.22638 0.22743 0.67993 0.95633 0.90349 0.49279 0.93712 0.93336 1.15976 0.83030 0.89573 0.71303 0.99370 1.10169 0.83890 -0.01837 0.14388 0.27312 1.15976 0.83030 0.89572 0.71293 0.99373 1.10176 0.83893 -0.01851 0.14385 0.27310 1.17431 0.81419 0.76039 0.44815 0.96233 0.92599 0.77403 0.16716 -0.10494 0.23522 1.17441 0.81413 0.77876 0.44984 0.88249 0.98715 0.72894 0.07901 0.16317 0.19922 1.17442 0.81413 0.77875 0.44993 0.88249 0.98708 0.72891 0.07899 0.16318 0.19922 1.17431 0.81433 0.78375 0.46327 0.86390 0.90470 0.81850 0.00470 0.27302 0.22648 0.51379 0.23365 0.51955 0.21670 0.51952 0.21680 -4.0906 -0.0003 0.0010 4.0906 -42.5079 -49.1581 -47.4089 -0.0002 -0.0008 0.0002 3.8504 -2.7998 -1.0506 -0.0002 -0.0008 0.0002 -60.1928 -0.0004 -0.0125 -29.9050 -0.0004 0.0027 -13.1779 -0.0008 0.0005 -0.0003 -733.9062 -263.8244 -48.7703 0.0008 -0.0250 -0.0048 0.0007 -0.0220 -0.0004 -168.5683 -145.3676 -54.8705 0.0004 -0.0083 -0.0017 0 0 0 0 0 0 0 0 0 0 111.5092 AuxInfo=1/0/N:4,5,6,7,1,2,3/E:(2,3)(6,7)/CRV:1.3,2.3,3.3,4.3,6.2,7.2/rA:10ClN2N2C3C3C3C3HHH/rB:;;;s2s4;s3s4;s1s2s3;s4;s5;s6;/rC:;;;;;;;;;; 0.000000 2.692534 0.000000 2.692531 2.436398 0.000000 4.510454 2.435775 2.435773 0.000000 3.957280 1.368502 2.782166 1.413808 0.000000 3.957277 2.782164 1.368500 1.413803 2.408329 0.000000 1.809977 1.354081 1.354087 2.700478 2.300047 2.300048 0.000000 5.603163 3.425875 3.425878 1.092709 2.193600 2.193604 3.793187 0.000000 4.785495 2.093023 3.876001 2.198635 1.094891 3.423275 3.280723 2.565087 0.000000 4.785489 3.875998 2.093019 2.198630 3.423275 1.094890 3.280723 2.565094 4.368185 0.000000 5.8780827 1.6017037 1.2587188 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 83 83 83 83 83 MxSgAt= 10 MxSgA2= 10. SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 10 10 10 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 10 10 10 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 10 10 10 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 1378 NPrTT= 6941 LenC2= 1321 LenP2D= 4980. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 84 RedAO= T EigKep= 3.46D-03 NBF= 84 NBsUse= 84 1.00D-06 EigRej= -1.00D+00 NBFU= 84 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 83 83 83 83 83 MxSgAt= 10 MxSgA2= 10. 1 Closed 1 0 1 -723.218577436024 -723.212978324376 0.005599111648 -723.318801006784 -0.105822682408 -723.319628614575 -0.000827607791 -723.324098738656 -0.004470124081 -723.324355438188 -0.000256699532 -723.324399185835 -0.000043747648 -723.324401459991 -0.000002274156 -723.324381521895 0.000019938096 -723.324381664852 -0.000000142957 -723.324381635735 0.000000029117 -723.324381703185 -0.000000067450 -723.324381708571 -0.000000005386 -723.324381708722 -0.000000000151 -723.324381708734 -0.000000000013 -723.324381708731 0.000000000003 -723.324381709 16 7.214040277088e+02 -2.355532292293e+03 5.862545051691e+02 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=7321723. IVT= 40746 IEndB= 40746 NGot= 402653184 MDV= 396238204 LenX= 396238204 LenY= 396230707 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 3570 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -1.60935217e+00 -1.13898427e-04 3.81876249e-04 1 2 3 4 5 6 7 8 9 10 17 7 7 6 6 6 6 1 1 1 0.045898977 -0.000012539 0.000000350 0.007219371 0.008095105 -0.000012540 0.007241890 -0.008151003 -0.000011960 -0.016933031 -0.000163057 -0.000018347 -0.003174526 0.029546641 0.000019292 -0.003373829 -0.029466435 0.000009890 -0.023599391 0.000093962 0.000020266 -0.006793822 0.000002854 0.000008884 -0.003257439 0.007229247 -0.000010171 -0.003228201 -0.007174773 -0.000005664 0.045898977 0.013064722 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -723.331779439955 -723.331853713210 -0.000074273255 -723.331841578526 0.000012134684 -723.331861106578 -0.000019528052 -723.331861423485 -0.000000316907 -723.331861501367 -0.000000077883 -723.331861505351 -0.000000003984 -723.331861506411 -0.000000001060 -723.331861506452 -0.000000000042 -723.331861506454 -0.000000000002 -723.331861506449 0.000000000005 -723.331861506 11 7.208856505711e+02 -2.340390768970e+03 5.790450732522e+02 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=7321723. IVT= 40746 IEndB= 40746 NGot= 402653184 MDV= 396238204 LenX= 396238204 LenY= 396230707 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 3570 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -100.711170 -14.041622 -14.041622 -10.036250 -9.984070 -9.984065 -9.953477 -9.190207 -7.016232 -7.002759 -7.001097 -0.950279 -0.853324 -0.795646 -0.731672 -0.631928 -0.607251 -0.497891 -0.497202 -0.439517 -0.419495 -0.401436 -0.391295 -0.317558 -0.313761 -0.280219 -0.275978 -0.259460 -0.226449 -0.106495 -0.089806 -0.017603 0.039317 0.097900 0.100639 0.107862 0.156225 0.170365 0.214639 0.214735 0.231618 0.273827 0.286731 0.303331 0.309700 0.313840 0.355263 0.374140 0.377183 0.393447 0.395174 0.434914 0.509316 0.532341 0.536041 0.578717 0.595917 0.622651 0.641801 0.666053 0.689480 0.721309 0.732240 0.785335 0.803805 0.894775 0.899447 1.006992 1.106947 1.158761 1.248562 1.352889 1.402963 5.867299 5.888964 5.897919 8.776074 22.309780 22.384324 22.481904 22.619454 31.457776 31.469294 217.674884 137.016819 22.045673 22.045933 15.957430 15.955528 15.956418 15.954950 21.397969 20.478406 20.496872 20.498719 1.849276 2.119346 2.415754 2.220218 1.700510 1.955999 1.597510 1.272821 1.626093 1.198466 1.323490 1.917849 1.519946 1.473056 2.030115 2.386043 2.058347 1.973268 1.726084 1.732726 3.020709 2.068397 1.369722 1.361026 1.249358 1.520255 1.329034 1.218660 1.888462 1.260388 1.213078 1.237321 1.305831 1.345908 1.889092 2.388111 1.475563 2.916465 2.812704 1.651261 2.765643 2.685149 2.068728 2.955391 2.501930 2.488268 1.914104 2.315540 2.297545 3.002065 3.180250 2.677189 2.684000 2.683064 2.706384 2.388902 3.314275 2.950961 2.707054 3.246196 3.933883 3.615791 16.518121 16.515210 16.580792 34.847930 57.402766 57.403763 57.399149 57.387881 80.072120 80.070089 561.891361 7.208856505711D+02 PT123.200S Tue Jun 6 16:55:42 2017 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 Cl N N C C C C H H H 0.081322 0.068265 0.068438 -0.156817 -0.257123 -0.257101 -0.326959 0.252553 0.263741 0.263682 0.00000 -9.98406 -9.95348 -9.19021 -7.01623 -7.00276 -7.00110 -0.95028 -0.85332 -0.79565 -0.73167 -0.63193 -0.60725 -0.49789 -0.49720 -0.43952 -0.41950 -0.40144 -0.39130 -0.31756 -0.31376 -0.28022 -0.27598 -0.25946 -0.22645 -0.10650 -0.08981 -0.01760 0.03932 0.09790 0.10064 0.10786 0.15623 0.17037 0.21464 0.21474 0.23162 0.27383 0.28673 0.30333 0.30970 0.31384 0.35526 0.37414 0.37718 0.39345 0.39517 0.43491 0.50932 0.53234 0.53604 0.57872 0.59592 0.62265 0.64180 0.66605 0.68948 0.72131 0.73224 0.78534 0.80380 0.89477 0.89945 1.00699 1.10695 1.15876 1.24856 1.35289 1.40296 5.86730 5.88896 5.89792 8.77607 22.30978 22.38432 22.48190 22.61945 31.45778 31.46929 217.67488 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|O|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V|V -100.71117 -14.04162 -14.04162 -10.03625 -9.98407 -9.98406 -9.95348 -9.19021 -7.01623 -7.00276 -7.00110 -0.95028 -0.85332 -0.79565 -0.73167 -0.63193 -0.60725 -0.49789 -0.49720 -0.43952 -0.41950 -0.40144 -0.39130 -0.31756 -0.31376 -0.28022 -0.27598 -0.25946 -0.22645 -0.10650 -0.08981 -0.01760 0.03932 0.09790 0.10064 0.10786 0.15623 0.17037 0.21464 0.21474 0.23162 0.27383 0.28673 0.30333 0.30970 0.31384 0.35526 0.37414 0.37718 0.39345 0.39517 0.43491 0.50932 0.53234 0.53604 0.57872 0.59592 0.62265 0.64180 0.66605 0.68948 0.72131 0.73224 0.78534 0.80380 0.89477 0.89945 1.00699 1.10695 1.15876 1.24856 1.35289 1.40296 5.86730 5.88896 5.89792 8.77607 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0.02333 0.00005 -0.12703 -0.11261 -0.00004 0.00006 -0.04136 0.06509 0.00008 0.14386 -0.00010 -0.00001 -0.10956 -0.00057 0.45818 0.89815 0.25953 0.23502 -0.24037 1.39542 -0.12392 -0.00059 -0.47542 -2.06079 0.00026 -0.00239 -0.11176 -0.95442 -0.00086 -0.38500 0.04037 0.00420 -0.79973 -2.25987 -0.00537 -1.08600 -2.67989 -0.71439 0.42613 0.00345 -0.98512 -0.00085 0.41938 -0.49557 0.94580 -0.90379 -0.12687 -0.07628 1.27101 -1.33181 -3.10871 -1.88432 1.92552 -1.46554 -0.00019 -0.04591 0.01560 -0.19382 -0.11254 -0.09302 0.08609 -0.01536 -0.05093 -0.09893 -0.03991 1 Cl 1S 2S 3S 4S 5S 6S 7PX 7PY 7PZ 8PX 8PY 8PZ 9PX 9PY 9PZ 10PX 10PY 10PZ 2 N 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 3 N 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 4 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 5 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 6 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 7 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 8 H 1S 2S 9 H 1S 2S 10 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 1 Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 H 1S|2S|9 H 1S|2S|10 H 1S|2S 0.74386 1.22399 0.97487 1.01008 1.09866 0.90489 1.78138 1.80426 1.80148 0.22874 0.22683 0.22776 0.65320 0.94682 0.90312 0.53581 0.95582 0.95594 1.15980 0.83029 0.89687 0.72667 0.98574 1.09599 0.83400 -0.01235 0.14094 0.27722 1.15980 0.83029 0.89687 0.72667 0.98574 1.09599 0.83400 -0.01235 0.14095 0.27722 1.17438 0.81423 0.76094 0.47417 0.95198 0.90850 0.76109 0.16505 -0.09658 0.24322 1.17448 0.81417 0.77895 0.47317 0.86667 0.97469 0.72308 0.07202 0.15607 0.20524 1.17448 0.81417 0.77895 0.47317 0.86667 0.97469 0.72308 0.07202 0.15607 0.20524 1.17442 0.81437 0.77542 0.50205 0.82997 0.89097 0.80441 0.01244 0.25844 0.22391 0.50919 0.24532 0.51331 0.22527 0.51331 0.22527 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 Cl N N C C C C H H H 0.022494 0.064813 0.064809 -0.156985 -0.238528 -0.238529 -0.286396 0.245489 0.261416 0.261416 0.00000 -1.80305397e+00 1.30940073e-05 5.23572062e-05 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -4.5829 0.0000 0.0001 4.5829 -43.3161 -48.5391 -47.8681 0.0000 -0.0007 0.0000 3.2583 -1.9647 -1.2936 0.0000 -0.0007 0.0000 -66.0684 0.0008 0.0042 -32.1840 0.0002 -0.0039 -14.3418 0.0002 -0.0009 -0.0003 -781.5628 -267.9818 -49.6925 0.0010 0.0487 0.0013 -0.0016 0.0853 -0.0019 -176.5884 -154.3543 -56.6743 -0.0004 0.0269 0.0005 0 -723.3318615 2.931E-9 1.82E-4 2.4224683,-1.4606911,-0.9617772,-0.0000161,-0.0004836,-0.0000258 C01 [X(C4H3Cl1N2)] -1.803054 0.0000131 0.0000524 @ 0.000220678 0.000000323 0.000054381 -0.000136146 -0.000295755 0.000067752 -0.000134118 0.000299232 0.000068283 0.000586232 0.000003836 -0.000006689 -0.000317146 -0.000068241 0.000030149 -0.000316489 0.000065356 0.000029845 -0.000260514 -0.000003463 -0.000215102 0.000175183 -0.000000602 -0.000008782 0.000091396 0.000036018 -0.000009859 0.000090922 -0.000036703 -0.000009979 111.5092 AuxInfo=1/0/N:4,5,6,7,1,2,3/E:(2,3)(6,7)/CRV:1.3,2.3,3.3,4.3,6.2,7.2/rA:10ClN2N2C3C3C3C3HHH/rB:;;;s2s4;s3s4;s1s2s3;s4;s5;s6;/rC:;;;;;;;;;; Gaussian 09 GINC-KIMIK2064 CBGUSER 000074404 EM64L-G09RevD.01 6-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 24 C1[X(C4H3ClN2)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 111.5092 0 1 AuxInfo=1/0/N:4,5,6,7,1,2,3/E:(2,3)(6,7)/CRV:1.3,2.3,3.3,4.3,6.2,7.2/rA:10ClN2N2C3C3C3C3HHH/rB:;;;s2s4;s3s4;s1s2s3;s4;s5;s6;/rC:;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-22823.inp" -scrdir="/scratch/" chk=000074404-Freq.chk nprocshared=4 mem=3GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000074404 1 2 3 4 5 6 7 8 9 10 35 14 14 12 12 12 12 1 1 1 34.9688527 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 3 2 2 0 0 0 0 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. 3.00e-01 1.00e-07 1.00e-07 2 2 Search for a local minimum. |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000587 0.000182 0.001680 0.000704 0.000450 0.000300 0.001800 0.001200 NO YES YES YES -1.368594e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 317.1281986733 84 192 84 29 29 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 10 10 10 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 111.5092 AuxInfo=1/0/N:4,5,6,7,1,2,3/E:(2,3)(6,7)/CRV:1.3,2.3,3.3,4.3,6.2,7.2/rA:10ClN2N2C3C3C3C3HHH/rB:;;;s2s4;s3s4;s1s2s3;s4;s5;s6;/rC:;;;;;;;;;; 0.000000 2.692533 0.000000 2.692531 2.436397 0.000000 4.510454 2.435775 2.435774 0.000000 3.957280 1.368502 2.782166 1.413807 0.000000 3.957277 2.782164 1.368501 1.413804 2.408329 0.000000 1.809977 1.354081 1.354087 2.700478 2.300047 2.300049 0.000000 5.603163 3.425875 3.425878 1.092709 2.193600 2.193604 3.793187 0.000000 4.785495 2.093023 3.876001 2.198635 1.094892 3.423276 3.280723 2.565087 0.000000 4.785489 3.875998 2.093019 2.198631 3.423274 1.094890 3.280723 2.565094 4.368185 0.000000 C4H3ClN2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 111.5092 AuxInfo=1/0/N:4,5,6,7,1,2,3/E:(2,3)(6,7)/CRV:1.3,2.3,3.3,4.3,6.2,7.2/rA:10ClN2N2C3C3C3C3HHH/rB:;;;s2s4;s3s4;s1s2s3;s4;s5;s6;/rC:;;;;;;;;;; 5.8780840 1.6017038 1.2587189 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 1378 NPrTT= 6941 LenC2= 1321 LenP2D= 4980. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 84 RedAO= T EigKep= 3.46D-03 NBF= 84 NBsUse= 84 1.00D-06 EigRej= -1.00D+00 NBFU= 84 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 83 83 83 83 83 MxSgAt= 10 MxSgA2= 10. 1 Closed 1 0 1 -723.238838509185 -723.223416774523 0.015421734662 -723.327425620281 -0.104008845758 -723.328107456646 -0.000681836365 -723.331626878172 -0.003519421525 -723.331808378921 -0.000181500749 -723.331851150001 -0.000042771080 -723.331855528091 -0.000004378091 -723.331861335221 -0.000005807129 -723.331861448111 -0.000000112890 -723.331861442227 0.000000005883 -723.331861505744 -0.000000063516 -723.331861506259 -0.000000000516 -723.331861506489 -0.000000000230 -723.331861506493 -0.000000000003 -723.331861506498 -0.000000000005 -723.331861506 16 7.208856516518e+02 -2.340390804289e+03 5.790450924570e+02 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=7321859. IVT= 40882 IEndB= 40882 NGot= 402653184 MDV= 396238068 LenX= 396238068 LenY= 396230571 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 3570 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 10. Will process 11 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 402652996 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=7287356. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 3570 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 33 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 30 vectors produced by pass 0 Test12= 4.83D-15 3.03D-09 XBig12= 1.87D+02 9.63D+00. AX will form 30 AO Fock derivatives at one time. 30 vectors produced by pass 1 Test12= 4.83D-15 3.03D-09 XBig12= 5.83D+01 2.16D+00. 30 vectors produced by pass 2 Test12= 4.83D-15 3.03D-09 XBig12= 4.59D-01 1.60D-01. 30 vectors produced by pass 3 Test12= 4.83D-15 3.03D-09 XBig12= 1.17D-03 7.57D-03. 27 vectors produced by pass 4 Test12= 4.83D-15 3.03D-09 XBig12= 4.60D-07 2.13D-04. 7 vectors produced by pass 5 Test12= 4.83D-15 3.03D-09 XBig12= 5.00D-11 1.22D-06. 2 vectors produced by pass 6 Test12= 4.83D-15 3.03D-09 XBig12= 6.28D-15 1.54D-08. InvSVY: IOpt=1 It= 1 EMax= 3.55D-15 Solved reduced A of dimension 156 with 33 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 59.45 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 93.064 0.000 60.389 -0.001 0.000 24.894 184.991 0.000 132.996 -0.013 0.000 35.509 (Enter /mnt/data/applications/G09/g09/l716.exe) PT116.300S Tue Jun 6 16:56:16 2017 -100.71117 -14.04162 -14.04162 -10.03625 -9.98407 -9.98406 -9.95348 -9.19021 -7.01623 -7.00276 -7.00110 -0.95028 -0.85332 -0.79565 -0.73167 -0.63193 -0.60725 -0.49789 -0.49720 -0.43952 -0.41950 -0.40144 -0.39130 -0.31756 -0.31376 -0.28022 -0.27598 -0.25946 -0.22645 -0.10650 -0.08981 -0.01760 0.03932 0.09790 0.10064 0.10786 0.15623 0.17037 0.21464 0.21474 0.23162 0.27383 0.28673 0.30333 0.30970 0.31384 0.35526 0.37414 0.37718 0.39345 0.39517 0.43491 0.50932 0.53234 0.53604 0.57872 0.59592 0.62265 0.64180 0.66605 0.68948 0.72131 0.73224 0.78534 0.80380 0.89477 0.89945 1.00699 1.10695 1.15876 1.24856 1.35289 1.40296 5.86730 5.88896 5.89792 8.77607 22.30978 22.38432 22.48190 22.61945 31.45778 31.46929 217.67488 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 Cl N N C C C C H H H 0.022494 0.064813 0.064809 -0.156985 -0.238528 -0.238529 -0.286396 0.245489 0.261416 0.261417 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 Cl N N C C C C 0.022494 0.064813 0.064809 0.088504 0.022888 0.022888 -0.286396 0.00000 -1.80305478e+00 -4.21695498e-06 3.66066051e-04 9.30636602e+01 8.65313162e-05 6.03894357e+01 -1.13541023e-03 -1.15757418e-05 2.48937436e+01 -0.0025 0.0029 0.0032 6.6511 7.3544 13.0651 141.7560 310.2999 399.9619 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 141.7552 310.2988 399.9615 407.1009 472.8214 602.5840 727.3836 775.5806 810.7480 926.8236 953.4016 986.4071 1051.8159 1070.4420 1148.2071 1235.8918 1240.2944 1375.4182 1388.7302 1514.7660 1525.3401 3150.2826 3154.2977 3188.6984 6.6664 8.7369 4.1573 16.6590 2.9681 8.4937 8.1013 7.4138 1.2172 9.7761 1.3751 1.4505 2.9882 1.6683 4.6176 3.1156 2.7346 2.0017 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