Gaussian 09 GINC-KIMIK2065 CBGUSER 000071181 EM64L-G09RevD.01 8-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 94.97136099999999 0 1 AuxInfo=1/0/N:2,3,4,5,1/E:(1,2,3)/CRV:4.1,5.4/rA:8P4OOOO1HHH/rB:s1;s1;s1;s1;s2;s3;s4;/rC:;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-23789.inp" -scrdir="/scratch/" chk=000071181.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 000071181 1 2 3 4 5 6 7 8 31 16 16 16 16 1 1 1 30.9737634 15.9949146 15.9949146 15.9949146 15.9949146 1.0078250 1.0078250 1.0078250 1 0 0 0 0 1 1 1 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 1 1 1 1 2 3 4 2 3 4 5 6 7 8 1.6152 1.6161 1.6145 1.502 0.9809 0.981 0.9809 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 2 2 2 3 3 4 1 1 1 1 1 1 1 1 1 2 3 4 3 4 5 4 5 5 6 7 8 103.9389 105.0846 114.2577 104.7571 113.6389 114.0801 118.9911 118.955 119.0212 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 3 4 5 2 4 5 2 3 5 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 6 6 6 7 7 7 8 8 8 54.4579 -55.3406 178.8595 -54.8913 55.148 -179.6913 -80.344 170.4485 45.5663 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 35 100 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 8 8 8 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= 820 NPrTT= 4029 LenC2= 799 LenP2D= 2964. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 64 RedAO= T EigKep= 1.18D-02 NBF= 64 NBsUse= 64 1.00D-06 EigRej= -1.00D+00 NBFU= 64 Using GEDIIS/GDIIS optimizer. local minimum Step number 20 out of a maximum of 35 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00194 0.00219 0.01988 0.10973 0.11982 0.13291 0.14213 0.15088 0.16016 0.17046 0.23615 0.37555 0.46689 0.51102 0.51312 0.51425 0.53992 0.76426 RFO step: Lambda=-1.09519380D-06. 1 2 3 0.00373197 0.00001083 0.00000000 0.00001254 0.00000206 0.00000206 R1 R2 R3 R4 R5 R6 R7 A1 A2 A3 A4 A5 A6 A7 A8 A9 D1 D2 D3 D4 D5 D6 D7 D8 D9 3.21667 3.24004 3.26512 2.98250 1.87441 1.86846 1.87262 1.69509 1.87478 1.99921 1.71818 2.12357 2.00755 2.00155 2.04319 2.00442 0.40001 -1.36633 2.66369 -2.99286 -1.09263 1.11425 -1.67239 2.86112 0.57602 0.00012 -0.00023 0.00027 0.00009 0.00006 -0.00001 0.00017 -0.00005 0.00002 0.00001 0.00021 -0.00002 -0.00014 -0.00016 0.00003 -0.00034 0.00004 -0.00017 -0.00001 -0.00001 0.00005 0.00003 -0.00006 -0.00009 -0.00014 0.00014 0.00066 0.00058 0.00053 0.00008 0.00004 0.00025 -0.00013 0.00090 -0.00103 0.00013 0.00083 -0.00044 0.00014 -0.00040 -0.00168 0.00695 0.00667 0.00731 0.00436 0.00528 0.00534 -0.00465 -0.00475 -0.00562 0.00038 -0.00030 0.00039 -0.00003 0.00007 0.00001 0.00017 -0.00019 0.00037 0.00008 0.00029 0.00021 -0.00063 -0.00110 0.00040 -0.00109 -0.00880 -0.00911 -0.00863 0.00384 0.00424 0.00378 -0.00078 -0.00075 -0.00085 0.00051 0.00036 0.00096 0.00049 0.00015 0.00005 0.00042 -0.00032 0.00127 -0.00095 0.00042 0.00104 -0.00107 -0.00096 0.00000 -0.00277 -0.00185 -0.00243 -0.00132 0.00820 0.00952 0.00912 -0.00543 -0.00550 -0.00647 3.21718 3.24040 3.26608 2.98299 1.87456 1.86850 1.87304 1.69477 1.87605 1.99825 1.71860 2.12461 2.00648 2.00059 2.04319 2.00164 0.39815 -1.36876 2.66236 -2.98466 -1.08312 1.12337 -1.67782 2.85562 0.56955 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000337 0.000134 0.008414 0.003734 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.990971e-06 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 1 1 1 1 2 3 4 2 3 4 5 6 7 8 1.7022 1.7146 1.7278 1.5783 0.9919 0.9887 0.9909 -DE/DX = 0.0001|-DE/DX = -0.0002|-DE/DX = 0.0003|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0002 A1 A2 A3 A4 A5 A6 A7 A8 A9 2 2 2 3 3 4 1 1 1 1 1 1 1 1 1 2 3 4 3 4 5 4 5 5 6 7 8 97.1214 107.417 114.5461 98.4443 121.6715 115.024 114.6805 117.0662 114.8446 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0002|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0002|-DE/DX = 0.0|-DE/DX = -0.0003 D1 D2 D3 D4 D5 D6 D7 D8 3 4 5 2 4 5 2 3 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 6 6 6 7 7 7 8 8 22.9187 -78.2848 152.618 -171.4783 -62.6034 63.8417 -95.8211 163.93 -DE/DX = 0.0|-DE/DX = -0.0002|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0001 1 0 0 0 0 0 0 0 0 94.97136099999999 AuxInfo=1/0/N:2,3,4,5,1/E:(1,2,3)/CRV:4.1,5.4/rA:8P4OOOO1HHH/rB:s1;s1;s1;s1;s2;s3;s4;/rC:;;;;;;;; 0.000000 1.615176 0.000000 1.616117 2.545233 0.000000 1.614508 2.563732 2.558853 0.000000 1.501961 2.618784 2.610424 2.615592 0.000000 2.259841 0.980945 2.789587 2.819397 3.506035 0.000000 2.260365 2.792382 0.980996 2.811423 3.499407 2.682391 0.000000 2.259487 3.003778 3.475899 0.980871 2.876872 3.330652 3.780306 0.000000 4.4668994 4.3014587 4.2010156 -6.52353 -4.73930 -4.73911 -4.73876 -1.06111 -0.98810 -0.98399 -0.91893 -0.63953 -0.56885 -0.55664 -0.41196 -0.39361 -0.36683 -0.34619 -0.33193 -0.31987 -0.29891 -0.26347 -0.25432 -0.04903 0.00830 0.01868 0.06787 0.09585 0.10903 0.11484 0.31442 0.39472 0.39839 0.45335 0.50649 0.51045 0.58071 0.59313 0.62000 0.63654 0.70209 0.76274 0.77731 0.78763 0.81760 0.82578 0.85414 0.93354 1.00244 1.32123 1.33097 1.50719 1.72785 4.57050 4.58098 4.66434 6.07375 41.37422 41.38167 41.47327 41.53739 166.41887 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 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 -76.54741 -18.81763 -18.81661 -18.81595 -18.74239 -6.52353 -4.73930 -4.73911 -4.73876 -1.06111 -0.98810 -0.98399 -0.91893 -0.63953 -0.56885 -0.55664 -0.41196 -0.39361 -0.36683 -0.34619 -0.33193 -0.31987 -0.29891 -0.26347 -0.25432 -0.04903 0.00830 0.01868 0.06787 0.09585 0.10903 0.11484 0.31442 0.39472 0.39839 0.45335 0.50649 0.51045 0.58071 0.59313 0.62000 0.63654 0.70209 0.76274 0.77731 0.78763 0.81760 0.82578 0.85414 0.93354 1.00244 1.32123 1.33097 1.50719 1.72785 4.57050 4.58098 4.66434 6.07375 41.37422 41.38167 41.47327 41.53739 166.41887 0.39764 0.00000 0.00000 0.00000 0.00000 -0.11316 0.00029 0.00018 -0.00070 0.01709 0.00071 -0.00058 0.00969 0.01885 0.00142 0.00018 0.00397 -0.00835 -0.00732 -0.00115 -0.00603 -0.00052 -0.00056 0.00032 -0.00042 0.01483 -0.00422 -0.00308 0.02079 -0.00439 0.00396 -0.00051 -0.02399 0.00058 -0.00046 -0.00513 0.00108 0.00202 -0.00500 -0.00356 -0.00075 0.00357 -0.00002 0.00015 0.00181 -0.00192 0.00067 -0.00056 -0.00087 -0.00022 -0.00060 -0.00004 0.00041 -0.00031 0.00459 0.00007 -0.00003 -0.00153 0.10834 -0.00002 -0.00003 -0.00018 -0.00034 -1.51657 0.66912 0.00000 0.00000 0.00000 0.00001 -0.31666 0.00081 0.00050 -0.00199 0.05025 0.00208 -0.00170 0.02860 0.05569 0.00418 0.00048 0.01166 -0.02497 -0.02175 -0.00336 -0.01793 -0.00156 -0.00167 0.00095 -0.00122 0.04439 -0.01259 -0.00923 0.06196 -0.01296 0.01185 -0.00154 -0.06856 0.00146 -0.00103 -0.01563 0.00260 0.00546 -0.01311 -0.00903 -0.00190 0.00944 -0.00014 0.00056 0.00516 -0.00577 0.00201 -0.00166 -0.00223 -0.00024 -0.00201 -0.00003 0.00139 -0.00009 0.01301 0.00026 -0.00011 -0.00614 0.43484 -0.00002 -0.00004 -0.00028 -0.00029 1.80785 0.01428 -0.00001 0.00000 -0.00001 -0.00009 0.53347 -0.00150 -0.00091 0.00368 -0.10833 -0.00446 0.00366 -0.06285 -0.12286 -0.00905 -0.00060 -0.02507 0.05793 0.04938 0.00720 0.04080 0.00360 0.00376 -0.00216 0.00250 -0.10391 0.02921 0.02170 -0.14267 0.02867 -0.02769 0.00385 0.12949 -0.00091 -0.00095 0.03928 0.00009 -0.00725 0.01274 0.00530 0.00101 -0.00987 0.00124 -0.00259 -0.00952 0.01383 -0.00463 0.00381 0.00153 -0.00321 0.00688 -0.00082 -0.00508 -0.00860 -0.02376 -0.00137 0.00038 0.03294 -2.46121 0.00023 0.00050 0.00351 0.00199 -1.26754 -0.00494 -0.00002 -0.00003 -0.00001 0.00014 0.57467 -0.00127 -0.00085 0.00318 -0.18294 -0.00781 0.00639 -0.10297 -0.21406 -0.01700 -0.00393 -0.04998 0.08994 0.08324 0.01451 0.06852 0.00569 0.00663 -0.00380 0.00627 -0.16960 0.05024 0.03543 -0.25585 0.05989 -0.04774 0.00519 0.43900 -0.01817 0.02031 0.05540 -0.04111 -0.05087 0.14474 0.11771 0.02539 -0.10283 -0.00388 0.00324 -0.03755 0.02678 -0.01043 0.00847 0.02827 0.01750 -0.00005 0.00489 0.00144 0.04648 -0.10718 0.00138 0.00036 -0.03474 2.87941 -0.00037 -0.00103 -0.00746 0.00463 0.83188 0.00182 -0.00035 -0.00033 -0.00042 -0.00012 0.05342 -0.00027 0.00038 0.00020 0.34221 0.01693 -0.01321 0.20412 0.45474 0.03940 0.01587 0.13477 -0.19521 -0.20066 -0.03812 -0.15982 -0.01253 -0.01926 0.01209 -0.02745 0.28522 -0.09521 -0.04589 0.53960 -0.19493 0.09723 -0.00603 -2.30459 0.09349 -0.11156 -0.14774 0.20729 0.23705 -0.54098 -0.60238 -0.12224 0.49947 -0.00789 0.04620 0.32539 -0.30749 0.14568 -0.06955 -0.17336 0.04268 -0.03191 -0.03637 -0.00275 -0.25579 -0.42596 0.00379 -0.02333 0.01549 -1.64343 -0.00004 0.00234 -0.03304 0.04354 -0.34204 -0.00046 0.00346 0.00357 0.00380 0.00329 -0.01193 0.00000 -0.00198 0.00159 0.03070 -0.00756 0.00070 0.02457 0.11298 0.00526 -0.00880 -0.03635 -0.02715 0.01450 -0.01078 -0.02155 -0.00384 0.01908 -0.00780 0.06539 0.73710 -0.28218 -0.30958 1.35783 -0.00885 0.29414 -0.05993 3.90097 -0.06060 0.06834 -0.00956 -0.00206 -0.06926 -1.09521 -0.34716 -0.19361 0.66664 0.51664 -0.60404 -1.16812 1.72715 -0.76005 0.33769 0.31275 -0.68125 0.38138 0.07102 -0.14246 -0.17879 4.74596 -0.02712 0.14200 -0.12533 0.39789 0.00186 -0.00589 0.17764 -0.52674 0.08698 -0.00004 -0.00001 -0.00001 -0.00001 0.00005 -0.00610 -0.28985 -0.18574 0.86128 0.02561 -0.01135 0.00699 -0.10817 0.07014 0.00056 -0.01414 -0.09383 -0.02014 0.05629 0.04949 0.07405 0.01087 0.00006 0.00090 -0.01074 0.03609 -0.04086 -0.01761 0.00248 -0.11628 0.07676 -0.09315 -0.01311 0.01030 0.00298 0.28108 0.04454 -0.00650 0.03164 -0.03437 0.00473 -0.07194 -0.03303 0.02153 0.01816 0.00231 0.01347 0.01063 0.00516 0.02398 0.00851 -0.00691 -0.01017 0.01387 0.00969 -0.00505 0.01265 -0.16634 -0.00105 -0.00038 -0.00029 -0.00093 -0.00109 0.00010 0.00000 0.00000 0.00001 0.00000 0.00000 0.00028 0.33370 0.81644 0.28836 -0.00102 -0.06517 0.03034 0.01072 -0.00452 0.08745 0.09683 -0.07355 0.01825 -0.01779 -0.03053 -0.03028 -0.00024 0.00471 -0.00518 -0.03809 0.00531 0.08187 0.02932 0.02531 -0.10036 -0.16310 -0.05077 0.00068 0.08051 0.25120 -0.00248 -0.01922 -0.02268 -0.03073 0.00687 -0.00778 0.01071 -0.01345 0.01766 0.02583 0.02194 -0.03429 -0.00840 0.01055 0.00839 0.00956 -0.00782 -0.01539 0.00751 0.00234 -0.10319 -0.14465 -0.00713 -0.00001 -0.00002 -0.00006 0.00013 0.00001 0.00003 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00031 0.81587 -0.39994 0.18838 0.00122 0.03248 0.06271 0.00292 -0.00971 0.10437 -0.08894 0.01614 -0.03228 0.03762 -0.03880 -0.00109 0.01755 0.00251 -0.05581 -0.00130 -0.00876 0.06191 -0.11829 0.01052 0.09106 -0.00533 -0.13961 0.00182 0.25313 -0.07992 -0.01355 0.01807 0.00179 0.02699 0.01959 -0.03612 0.01084 0.00731 0.03643 -0.01646 -0.03144 -0.01414 0.00420 -0.00335 -0.00369 0.01223 0.01437 -0.00342 -0.00286 -0.00211 -0.14572 0.10203 0.01073 0.00014 0.00009 0.00018 -0.00001 0.00008 -0.00003 0.00001 -0.00004 -0.00004 -0.00004 0.00023 -0.00186 -0.07218 -0.04628 0.21446 0.00511 -0.00198 0.00101 -0.01427 0.00933 -0.00077 -0.00287 -0.01466 -0.00294 0.00689 0.00594 0.00644 0.00074 -0.00021 -0.00016 -0.00023 0.00294 -0.00748 -0.00296 0.00007 -0.01698 0.00959 -0.01260 -0.00587 0.00389 -0.00158 0.06372 0.01201 0.00224 -0.01268 0.00065 0.00212 -0.02470 -0.01581 0.00818 0.00318 -0.00203 -0.00273 0.00064 0.00168 -0.03573 -0.01160 0.01077 0.01138 0.04545 0.00323 0.03799 -0.09750 1.37890 0.01987 -0.00215 -0.00133 -0.01283 -0.00643 0.00033 0.00000 -0.00003 0.00008 -0.00004 -0.00001 0.00008 0.08320 0.20349 0.07186 -0.00033 -0.00922 0.00424 0.00143 -0.00047 0.01158 0.01268 -0.00817 0.00281 -0.00208 -0.00687 -0.00136 -0.00291 -0.00095 -0.00012 -0.00794 0.00105 0.00970 0.00352 0.00267 -0.01127 -0.02042 -0.00555 -0.00117 0.01570 0.05843 0.00754 -0.00282 -0.00610 -0.00776 0.02094 -0.00574 0.02160 -0.00117 0.00378 0.00635 -0.00660 -0.02111 -0.01296 0.00882 0.00004 -0.01344 -0.02508 -0.03777 0.00437 -0.00014 0.78628 1.11178 0.05841 0.00118 0.00602 0.00510 0.00077 0.00005 0.00014 0.00000 0.00007 -0.00002 -0.00007 -0.00001 0.00010 0.20338 -0.09968 0.04697 0.00028 0.00481 0.00872 0.00046 -0.00141 0.01424 -0.01166 0.00233 -0.00492 0.00457 -0.00306 -0.00002 -0.00293 0.00154 -0.01008 -0.00020 -0.00140 0.00849 -0.01457 0.00213 0.01047 0.00058 -0.01593 0.00114 0.05614 -0.01765 -0.00354 0.00117 0.00386 0.00675 0.00365 -0.03387 -0.00470 -0.00019 -0.00042 -0.00184 -0.01534 -0.01250 0.01823 -0.00578 0.00210 0.00800 0.03888 -0.02884 0.00028 0.00108 1.11068 -0.78366 -0.08846 -0.00269 -0.00483 0.00710 0.00013 0.00054 -0.00018 0.00001 0.00000 0.00002 -0.00002 -0.00007 -0.00017 -0.01261 -0.00793 0.03721 -0.04891 0.02111 -0.01202 0.19223 -0.15161 0.00121 0.03394 0.22489 0.04523 -0.13665 -0.12041 -0.17777 -0.02552 0.00033 -0.00068 0.02411 -0.09360 0.12958 0.05639 -0.02971 0.34161 -0.20452 0.26394 0.12234 -0.06089 0.00485 -1.33239 -0.23603 0.00114 -0.00112 0.09662 -0.04315 0.51741 0.29389 -0.15247 -0.04456 0.02179 0.01307 -0.01950 -0.05761 0.25691 0.07701 -0.03327 -0.02210 -0.30563 0.01490 -0.03383 0.09046 -1.32096 -0.03233 0.00436 0.00390 -0.00629 -0.00217 -0.00243 0.00000 -0.00007 0.00012 -0.00012 0.00000 0.00006 0.01357 0.03352 0.01182 0.00250 0.11096 -0.05169 -0.01950 0.00906 -0.19293 -0.21342 0.16165 -0.04287 0.03854 0.07810 0.06492 0.00941 -0.00627 0.01165 0.10254 -0.01714 -0.22300 -0.07830 -0.06708 0.27363 0.48042 0.14197 0.00698 -0.34682 -1.18044 -0.06513 0.09197 0.12863 0.17338 -0.19929 0.07950 -0.22751 0.07804 -0.11108 -0.18626 -0.02377 0.37297 0.17818 -0.12599 -0.07685 0.03135 0.14659 0.23249 -0.05990 -0.02122 -0.71111 -1.00994 -0.05384 -0.00079 0.00848 0.00812 -0.00128 0.00080 -0.00018 0.00000 0.00015 0.00001 -0.00010 0.00001 -0.00007 0.03340 -0.01647 0.00757 -0.00214 -0.05635 -0.10670 -0.00535 0.02131 -0.23086 0.19689 -0.03615 0.07363 -0.08365 0.08569 0.00293 -0.02791 -0.00901 0.14508 0.00334 0.02683 -0.17793 0.32640 -0.03636 -0.25133 0.00057 0.39541 -0.01485 -1.16218 0.36927 0.07234 -0.07343 -0.03122 -0.14800 -0.10044 0.43137 -0.00195 -0.03336 -0.18286 0.09721 0.25644 0.17486 -0.20191 0.04585 0.01855 -0.19352 -0.23378 0.15653 0.00887 0.00795 -1.00450 0.71117 0.08356 0.00297 -0.00838 0.00614 0.00054 -0.00072 0.00037 0.00003 -0.00175 -0.00094 -0.00198 0.00239 0.00055 0.00214 0.00240 -0.00713 -0.01255 0.01137 -0.00160 -0.01696 -0.02804 0.02780 0.04336 0.20043 0.09056 0.01126 -0.00445 0.13169 0.01858 0.00384 -0.00546 -0.04777 0.01649 0.12601 0.01835 0.28065 0.90534 -0.97893 0.87563 -0.72888 0.05986 0.00084 1.52233 0.18587 -0.09533 1.10783 -0.84506 -0.06397 -0.12905 -0.54692 0.50508 0.22503 -0.74806 -0.06165 -0.36264 0.13211 -0.92008 -0.50264 -0.10500 -0.02305 -2.38062 -1.13143 0.02026 -0.11507 0.45654 -0.00645 0.00746 0.01392 -0.26770 0.01378 -0.00563 0.00000 -0.00048 0.00155 -0.00057 -0.00005 -0.00001 -0.00226 -0.00775 -0.00384 0.00475 -0.02311 0.00953 -0.00222 -0.00242 -0.02940 -0.03805 0.08060 -0.06134 0.03901 0.16577 -0.05015 0.10290 0.04975 -0.00920 0.23184 0.03444 -0.09858 -0.08721 -0.17821 0.78796 1.04268 0.37594 -0.05799 0.49032 1.62241 -0.02716 -0.30860 -0.27304 -0.33835 -0.46789 0.00297 -0.46820 -0.57680 0.84880 1.21752 0.89524 -0.92914 -0.15905 0.55746 0.79609 0.51901 0.80129 1.06799 0.02091 0.08739 0.29292 0.46610 0.12354 0.00028 0.10647 0.08471 0.00986 -0.00261 0.00019 -0.00001 0.00108 -0.00051 -0.00077 -0.00012 -0.00013 -0.00746 0.00350 -0.00167 -0.00531 0.00370 0.02337 0.00040 0.00835 -0.06164 0.03100 -0.05644 0.11934 -0.09259 -0.00651 -0.01595 0.18148 -0.05309 0.23256 0.00253 -0.01540 -0.13589 0.35766 -0.02181 -0.78761 0.25309 1.08491 0.10118 1.62879 -0.52140 -0.13623 0.30794 -0.21961 0.17133 0.16613 0.24284 0.26864 0.23742 1.71418 -0.85575 -0.06018 -0.16571 -0.23866 -0.43898 -0.28086 1.57218 -1.11093 0.37441 0.20009 -0.01682 0.44484 -0.29406 -0.03464 0.00901 -0.08820 0.08830 0.00870 0.00399 0.00157 0.00000 0.00086 0.00180 0.58052 0.00000 -0.00005 0.00014 0.00002 0.00017 -0.06786 0.02277 -0.10708 0.02105 0.02167 -0.00375 -0.00250 -0.02314 -0.04243 -0.00136 -0.01586 -0.01131 0.01536 0.00120 -0.01242 -0.00832 0.03956 0.03289 -0.03126 0.01190 -0.01136 -0.00617 -0.01469 0.00923 0.00132 0.00045 0.00884 0.00079 0.00696 -0.00891 0.00896 -0.00759 -0.00039 0.00599 -0.02674 -0.02127 0.01242 -0.00045 0.00029 0.02717 0.01831 0.02776 -0.04851 0.10538 -0.03853 -0.08089 0.00957 -0.00089 0.00295 -0.00114 0.11729 -1.38496 0.73706 -0.72103 -0.00001 0.00000 0.00066 0.00140 0.45928 -0.00001 -0.00003 0.00010 0.00002 0.00015 -0.09012 0.03023 -0.14205 0.02796 0.02908 -0.00479 -0.00329 -0.03084 -0.05693 -0.00195 -0.02114 -0.01509 0.02148 0.00159 -0.01598 -0.01081 0.05336 0.04377 -0.04175 0.01679 -0.01524 -0.00820 -0.01903 0.01167 0.00221 0.00101 0.01245 0.00069 0.00759 -0.01095 0.01274 -0.01060 -0.00101 0.00883 -0.03967 -0.03222 0.01900 -0.00140 0.00058 0.04034 0.02696 0.04306 -0.08040 0.17476 -0.06618 -0.13802 0.01051 -0.00131 0.00246 0.00056 -0.12747 1.50552 -0.80354 0.78765 -0.00014 0.00004 0.00026 0.00024 0.00874 0.00010 0.00032 0.00030 -0.00003 -0.00013 0.25609 -0.08564 0.39997 -0.07969 -0.08821 0.00815 0.00846 0.08656 0.16812 0.00850 0.05814 0.04260 -0.08615 -0.00410 0.03032 0.02279 -0.15315 -0.11126 0.10924 -0.06677 0.03998 0.02205 0.03425 -0.00736 -0.01806 -0.01274 -0.04848 0.00634 0.02332 0.00216 -0.04899 0.03943 0.01396 -0.04313 0.20631 0.18302 -0.10622 0.03306 -0.00829 -0.21575 -0.13462 -0.27448 0.65061 -1.41850 0.60385 1.27717 -0.04076 0.01576 0.01399 -0.04704 0.02777 -0.33442 0.19947 -0.20819 -0.00828 -0.00012 -0.00090 -0.00076 -0.00647 -0.00031 -0.00133 -0.00091 0.00013 0.00033 0.21654 -0.07973 0.38976 -0.07887 -0.08123 0.05418 0.01938 0.15455 0.24910 -0.00235 0.12893 0.08748 0.06286 -0.01324 0.18112 0.10743 -0.54759 -0.56431 0.49254 0.03786 0.22808 0.02277 0.30591 -0.52044 0.36544 0.14210 0.07348 -0.00428 -0.31398 0.36330 -0.15019 0.06068 -0.06860 -0.09595 0.14880 -0.09384 -0.14029 -0.44409 0.01668 0.23595 -0.07293 0.49886 -0.97571 2.12546 -1.14062 -2.47352 0.01082 -0.03973 -0.07891 0.13339 -0.02393 0.31321 -0.23634 0.26441 0.02356 -0.00002 0.00001 0.00002 -0.00081 0.00002 -0.00027 0.00009 0.00002 0.00009 -0.02498 0.01692 -0.07002 0.04213 0.21061 0.42390 -0.03547 0.10269 0.28158 0.02316 0.11086 0.07886 -0.12643 -0.00511 0.08245 0.05909 0.11549 0.21314 -0.06723 -0.31388 -0.10568 0.17682 0.23228 -0.06711 -0.04377 -0.01894 0.04405 0.00324 -0.26468 0.07179 -0.12171 0.00320 0.10707 0.09235 -0.54815 -0.22797 -0.09910 -0.50242 0.25679 0.14040 -0.26716 -0.13062 0.02453 -0.03094 -0.03697 0.08518 -0.05810 -0.00039 -0.02423 0.02385 0.00009 -0.00007 -0.00145 -0.00413 0.00421 -0.00002 -0.00001 0.00000 0.00085 -0.00003 -0.00024 -0.00003 -0.00025 0.00000 0.05621 -0.00589 0.06573 -0.00859 0.08902 0.12657 -0.07293 -0.01124 -0.21113 0.30425 0.11504 -0.22381 0.27186 0.39114 0.10281 -0.08361 -0.12663 0.04922 0.15560 -0.09900 -0.05409 -0.14334 0.20270 0.04518 -0.06928 -0.24321 0.07196 -0.38189 0.22472 -0.27430 0.04573 -0.27164 0.14179 -0.49410 -0.09138 0.10142 0.08655 -0.25534 -0.02977 0.08126 0.12576 0.05119 0.03790 -0.03653 0.06205 0.01501 -0.04443 0.02659 -0.02796 0.02422 0.00179 -0.00511 0.00401 -0.00038 0.00430 -0.00003 -0.00003 -0.00003 0.00108 -0.00004 -0.00033 -0.00019 0.00010 0.00011 0.07310 -0.02408 0.08187 -0.00948 0.11814 0.17200 0.01497 -0.25315 -0.12032 -0.17449 -0.12975 0.12187 0.40782 -0.29576 -0.04099 0.07907 -0.17334 -0.01089 -0.00418 -0.17453 0.23083 0.01514 0.18410 0.03340 -0.25603 0.03877 0.06063 0.35805 0.25697 -0.32333 0.19320 -0.38480 0.04587 0.30642 0.10925 -0.12762 -0.19013 -0.10251 0.04481 0.12047 -0.11788 0.19095 0.02240 -0.08934 0.04796 -0.00059 -0.05539 -0.01538 -0.04834 0.03280 -0.00041 -0.00738 0.00411 0.00006 0.00580 -0.00003 -0.00009 -0.00023 0.00050 -0.00051 -0.00036 0.00051 0.00014 -0.00062 -0.00772 -0.00133 -0.00376 0.00371 0.05110 0.11598 -0.01325 0.05250 0.14765 -0.02012 0.07074 -0.00770 -0.02052 -0.00700 0.04653 0.03170 0.19091 0.36210 -0.09450 -0.44015 -0.09658 0.26842 0.55999 -0.27986 0.17641 0.04156 -0.17293 -0.01590 0.41033 0.13155 0.19477 0.47416 -0.38557 -0.15628 1.28938 0.38078 0.24520 1.09786 -0.71732 0.06335 1.08031 0.93822 -0.01125 0.00219 0.62308 -0.31643 0.00583 0.00035 0.09037 0.02939 -0.00008 -0.00034 0.02797 0.04574 0.00601 -0.00006 -0.00021 -0.00046 -0.00115 0.00002 -0.00092 0.00056 0.00090 0.00084 0.01366 -0.00018 0.03142 -0.00733 0.02435 0.03701 -0.02500 -0.00024 -0.08982 0.15960 0.05087 -0.12497 0.16595 0.19382 0.09891 -0.06160 -0.07898 0.03511 0.12034 -0.12378 -0.04993 -0.10501 0.29858 -0.21257 0.02761 0.02747 -0.10400 0.45111 -0.27915 0.61460 -0.07931 0.54743 -0.23710 0.75922 0.35371 -0.26858 -0.28749 0.61711 -0.04566 -0.24050 -0.28563 0.02423 -0.33307 0.12344 -0.31499 -0.54491 -0.06572 -0.06982 -0.03128 0.05876 -0.02170 0.02612 -0.04766 0.04565 0.01145 -0.00008 -0.00046 -0.00016 -0.00150 0.00003 -0.00116 0.00131 -0.00004 0.00057 0.02040 -0.01137 0.03699 -0.00982 0.02800 0.05545 0.01026 -0.10351 -0.06880 -0.10655 -0.05593 0.07652 0.24256 -0.14803 -0.01075 0.07513 -0.09822 0.03779 0.04966 -0.20449 0.23530 0.05672 0.30219 -0.29120 0.06395 0.04024 -0.08284 -0.46610 -0.33784 0.68438 -0.36851 0.74781 -0.21351 -0.59094 0.01761 0.44199 0.27342 0.26246 -0.22672 -0.15324 0.32609 -0.34851 -0.00141 0.43382 -0.38318 -0.65567 -0.09949 0.01496 0.00260 0.07346 0.01373 0.04037 -0.05918 0.05763 0.01449 0.00000 0.58052 -0.00163 -0.00086 0.00000 -0.00005 -0.00017 0.00013 0.00007 -0.06560 0.08137 0.07466 0.02276 0.02394 -0.00196 -0.00966 -0.02733 -0.01293 -0.03534 0.02049 -0.00896 -0.01247 0.00152 0.01395 -0.00522 0.04116 -0.00639 0.04372 0.01500 -0.01469 -0.00239 0.00338 0.00994 -0.00236 0.00134 0.00761 0.00745 -0.00488 -0.00870 0.00650 0.00870 0.00193 0.00607 0.00042 -0.03410 0.00998 -0.01435 -0.00029 -0.01718 0.03191 0.00234 0.11809 -0.02643 -0.03488 -0.07686 -0.00487 0.00736 0.00342 -0.00091 -1.27608 0.62645 0.70483 -0.69093 -0.00005 0.00000 0.45929 -0.00131 -0.00071 -0.00001 -0.00003 -0.00014 0.00010 0.00007 -0.08708 0.10802 0.09904 0.03024 0.03210 -0.00257 -0.01266 -0.03629 -0.01773 -0.04746 0.02797 -0.01180 -0.01726 0.00227 0.01791 -0.00682 0.05558 -0.00874 0.05809 0.02080 -0.01916 -0.00365 0.00438 0.01241 -0.00396 0.00242 0.01110 0.00852 -0.00658 -0.01006 0.00958 0.01230 0.00254 0.00884 0.00009 -0.05095 0.01374 -0.02197 -0.00167 -0.02584 0.04768 0.00400 0.19580 -0.04365 -0.06014 -0.13133 -0.00525 0.00779 0.00300 0.00083 1.38690 -0.68101 -0.76845 0.75482 -0.00003 0.00004 0.00869 0.00020 0.00025 0.00010 0.00033 -0.00002 0.00009 -0.00022 0.24693 -0.30604 -0.27886 -0.08632 -0.09670 0.00632 0.03016 0.09870 0.06185 0.14047 -0.09470 0.02971 0.06458 -0.01320 -0.03254 0.01534 -0.16130 0.02757 -0.14538 -0.07423 0.03832 0.02148 -0.01010 -0.00452 0.03054 -0.02230 -0.05261 0.01425 0.01698 -0.01435 -0.04368 -0.04818 -0.00579 -0.04101 0.01159 0.27440 -0.04990 0.13100 0.04663 0.14445 -0.25851 -0.02746 -1.58609 0.34977 0.55446 1.21917 0.01706 -0.02122 0.01054 -0.04954 -0.30678 0.15083 0.19127 -0.20012 -0.00866 -0.00012 -0.00638 -0.00060 -0.00095 -0.00030 -0.00128 0.00006 -0.00016 0.00065 0.21260 -0.28723 -0.27318 -0.08474 -0.09342 0.01514 0.09053 0.20212 0.01999 0.21754 -0.03658 0.09078 -0.01423 0.03710 -0.21454 0.06101 -0.55153 0.04340 -0.76430 -0.06073 0.28054 -0.10064 0.02747 -0.56174 -0.31191 0.26850 0.13849 -0.28845 0.08336 0.34399 -0.14460 -0.06591 -0.12156 -0.12623 -0.13778 0.00297 -0.00320 -0.14676 -0.46039 -0.04506 0.14652 -0.40408 2.41663 -0.43245 -1.11189 -2.37592 0.00533 -0.03630 -0.07895 0.13260 0.28863 -0.13677 -0.22838 0.25564 0.02343 -0.00002 -0.00092 0.00001 0.00001 0.00002 -0.00024 -0.00010 0.00008 0.00001 -0.03106 0.05937 0.05232 0.04460 0.21759 -0.13889 0.38780 0.15436 0.09199 0.26028 -0.13858 0.05311 0.12662 -0.05120 -0.08946 0.03121 0.13075 0.07222 0.24143 -0.22067 0.18330 0.08085 -0.27870 -0.08115 0.02461 -0.03911 0.06991 -0.24413 0.09803 0.12675 -0.10130 -0.09540 0.11423 0.17913 0.15938 -0.47960 0.31090 -0.10443 -0.54538 -0.06530 -0.27564 0.03256 -0.04067 -0.00282 -0.02609 0.07583 0.02930 -0.04223 -0.02057 0.02154 0.00036 -0.00031 -0.00164 -0.00363 0.00378 -0.00001 0.00057 0.00003 -0.00001 -0.00002 -0.00013 -0.00014 -0.00017 -0.00005 0.03553 -0.02790 -0.03685 -0.00677 0.06488 -0.08755 0.03618 0.02425 0.02789 0.00467 0.54230 -0.20864 0.07573 -0.33579 -0.11361 -0.10194 -0.10296 0.17476 -0.02931 -0.01813 0.04638 -0.18337 -0.11922 0.05300 -0.01448 -0.23443 -0.00727 -0.09054 -0.47743 -0.38223 -0.16956 0.12913 -0.08307 0.19099 0.29543 0.09267 -0.14777 -0.19290 -0.21538 0.23032 0.14234 -0.06468 0.00113 0.06125 0.02707 0.00963 0.03789 -0.01145 -0.01853 0.01315 -0.00116 0.00358 0.00254 -0.00024 0.00238 0.00003 -0.00121 0.00001 0.00004 0.00005 0.00038 -0.00008 0.00003 -0.00021 -0.08068 0.07309 0.06128 0.00905 -0.16148 0.06190 -0.22387 0.22004 0.14993 0.15571 -0.15819 -0.09703 0.34720 -0.28767 0.02723 -0.06030 0.20625 -0.06851 -0.00067 0.17489 -0.32796 0.02164 -0.03036 -0.05273 -0.23954 0.10887 -0.05965 -0.37232 -0.11317 0.31683 -0.13775 -0.42107 -0.29040 0.12145 0.16216 0.09770 -0.14718 -0.00843 0.19180 0.12266 -0.00639 0.24667 0.07796 -0.05092 -0.03510 -0.00442 -0.02824 0.06475 0.05893 -0.03765 0.00702 -0.00382 -0.00450 0.00011 -0.00670 -0.00002 0.00062 0.00001 -0.00006 -0.00049 -0.00015 0.00019 0.00034 -0.00065 -0.00612 0.00864 0.00508 0.00504 0.04745 -0.03284 0.11470 0.09407 -0.00230 0.14021 -0.06271 -0.01222 0.03064 -0.01857 -0.04672 0.01418 0.19810 0.13822 0.36549 -0.29564 0.49257 0.04966 -0.42482 -0.26189 -0.13938 0.11253 -0.19551 0.33096 -0.14355 -0.03017 0.21730 -0.21041 -0.56999 -0.35576 -0.50982 0.97629 -0.52892 0.11816 1.32751 0.06715 1.35515 -0.54122 0.06575 0.15184 0.54195 -0.22578 -0.01319 -0.00020 0.08256 0.01466 -0.00082 0.00289 0.03193 0.03776 0.00345 -0.00004 -0.00072 -0.00045 -0.00010 0.00002 -0.00067 -0.00015 0.00096 0.00052 0.00917 -0.00795 -0.01845 -0.00473 0.01916 -0.02868 0.00817 0.01875 0.02212 0.00979 0.27779 -0.11129 0.01011 -0.17399 -0.09232 -0.08700 -0.06840 0.10181 -0.02723 -0.03623 0.09031 -0.19526 -0.13918 -0.15864 -0.05928 0.01974 -0.00267 0.09787 0.58026 0.67314 0.25617 -0.26429 0.07523 -0.27110 -0.66735 -0.16791 0.05528 0.47342 0.45956 -0.40945 -0.31009 -0.09188 0.06180 -0.32719 -0.19305 -0.34082 -0.02063 -0.07205 -0.02865 0.04333 0.00303 -0.02876 -0.03092 0.02861 0.00834 0.00009 0.00164 0.00030 0.00052 0.00000 0.00139 0.00134 -0.00119 0.00018 -0.02357 0.03246 0.02946 0.01188 -0.03614 0.01045 -0.07571 0.07790 0.09796 0.08752 -0.09875 -0.06152 0.19568 -0.16005 0.04890 -0.05388 0.10602 -0.11837 -0.01916 0.21779 -0.46553 0.04290 0.04805 0.37699 0.06422 -0.06853 0.09271 0.46783 0.13958 -0.78257 0.21263 0.81943 0.64722 -0.03778 -0.31215 -0.44281 0.48576 0.04399 -0.46123 -0.26061 -0.18694 -0.29562 -0.42740 0.02556 0.36081 0.76694 -0.08075 0.09950 -0.00181 -0.08998 -0.04410 0.00968 0.06526 -0.06898 -0.01766 0.00000 0.00162 0.58052 -0.00180 -0.00001 -0.00005 -0.00008 -0.00021 0.00001 -0.06421 -0.10380 0.03494 0.03329 0.01837 0.00469 -0.00310 0.02545 -0.04220 -0.00021 0.01804 0.00973 -0.00247 -0.00821 0.00384 0.00151 0.03840 -0.04475 -0.01936 -0.00495 0.00257 0.02067 0.00146 0.01037 0.00610 -0.00763 -0.00850 0.00154 0.00787 -0.00334 -0.00670 -0.00006 -0.00593 0.00385 0.00903 0.00083 0.02733 -0.01202 0.00633 0.03329 0.00570 -0.02691 -0.07472 -0.09950 -0.00871 -0.07831 -0.00502 -0.00817 0.00464 -0.00079 1.16234 0.82659 0.65877 -0.72574 -0.00008 0.00000 0.00126 0.45928 -0.00145 -0.00002 -0.00004 -0.00005 -0.00016 0.00001 -0.08529 -0.13767 0.04635 0.04421 0.02470 0.00620 -0.00428 0.03442 -0.05654 -0.00040 0.02354 0.01340 -0.00363 -0.01127 0.00539 0.00127 0.05190 -0.05978 -0.02591 -0.00576 0.00331 0.02711 0.00221 0.01311 0.00838 -0.01125 -0.01233 0.00234 0.00970 -0.00347 -0.00797 0.00001 -0.00873 0.00587 0.01319 0.00035 0.04139 -0.01806 0.00950 0.04916 0.00797 -0.04068 -0.12472 -0.16544 -0.01431 -0.13340 -0.00559 -0.00874 0.00532 0.00103 -1.26326 -0.89857 -0.71821 0.79283 0.00005 0.00005 0.00029 0.00870 0.00021 0.00011 0.00038 -0.00013 -0.00013 0.00003 0.24277 0.38706 -0.13065 -0.12564 -0.07599 -0.01623 0.01602 -0.10846 0.16519 0.00440 -0.05223 -0.04906 0.01896 0.03946 -0.02181 0.01566 -0.15166 0.15711 0.06786 -0.00593 -0.00330 -0.05878 -0.01246 -0.00967 -0.02754 0.05681 0.05552 -0.01450 -0.00513 -0.01686 -0.00400 -0.00208 0.04159 -0.03476 -0.06542 0.02057 -0.23793 0.09244 -0.05882 -0.25237 -0.02586 0.23296 1.02724 1.35307 0.11941 1.22981 0.02402 0.02710 -0.02949 -0.05364 0.27937 0.19976 0.17674 -0.20995 -0.00928 -0.00014 -0.00093 -0.00636 -0.00084 -0.00033 -0.00151 0.00038 0.00045 -0.00006 0.20315 0.37870 -0.12698 -0.12673 -0.06503 -0.03393 -0.00423 -0.09888 0.25216 -0.01704 -0.21216 0.02288 -0.03663 0.00983 0.01258 -0.14059 -0.49481 0.71404 0.34530 0.27153 -0.12931 -0.32661 0.02438 -0.52068 -0.12998 -0.34903 0.16581 0.10066 -0.13243 0.32461 0.20589 0.01118 0.01324 0.06162 0.03548 -0.24788 0.09589 0.31324 0.26132 0.05362 -0.33645 -0.23769 -1.57613 -2.08898 -0.35295 -2.40031 -0.01166 0.01096 0.02243 0.15001 -0.25987 -0.18777 -0.21000 0.26691 0.02622 -0.00001 -0.00005 0.00101 -0.00007 0.00002 -0.00010 0.00002 0.00005 -0.00017 0.05200 0.08733 -0.02965 -0.01141 -0.02229 0.00615 0.01207 0.33409 -0.17291 -0.22562 0.12285 0.38158 0.15954 0.11963 0.01064 -0.27208 -0.09020 0.16748 0.08391 -0.08258 -0.18161 0.03700 -0.14946 0.14938 -0.02615 0.13475 -0.23342 0.31358 0.17077 0.02402 -0.52677 -0.04351 -0.09275 -0.38852 0.11708 -0.16981 -0.26342 -0.02782 -0.11190 0.11311 -0.05868 -0.08117 0.02650 0.05249 -0.08970 -0.04382 0.02254 0.03104 0.00602 0.01291 0.00542 0.00444 -0.00447 -0.00037 0.00215 0.00004 0.00003 -0.00060 0.00000 0.00003 0.00049 -0.00009 0.00006 -0.00008 -0.05769 -0.03908 0.01364 0.00078 -0.26671 0.20187 0.32940 -0.04826 0.05777 -0.14281 0.16152 -0.14992 0.20437 0.18837 -0.06763 0.07145 0.11755 0.04711 -0.05651 0.29862 0.05670 0.38210 -0.09554 -0.00819 -0.18822 -0.10576 0.07723 0.12325 -0.10875 0.33058 0.29567 -0.00665 0.26012 -0.16859 0.02602 0.04671 -0.47207 -0.21587 -0.37498 -0.07580 0.17175 0.00214 -0.11443 -0.05809 -0.00036 -0.04708 -0.03312 -0.08881 0.03808 -0.04653 -0.00682 -0.00255 -0.00427 0.00219 -0.00822 -0.00001 0.00000 -0.00090 0.00005 0.00001 -0.00013 -0.00018 -0.00005 -0.00011 -0.03458 -0.07940 0.01541 0.02839 0.14688 -0.17748 -0.14912 -0.06027 0.36453 -0.20609 -0.00097 -0.01361 0.26956 0.31466 -0.10888 -0.03872 0.09183 -0.11733 -0.18889 -0.15112 0.04928 -0.18237 -0.16402 -0.09180 -0.13372 -0.04519 -0.08451 0.28187 -0.40444 0.07867 0.12403 -0.06559 0.17376 -0.32435 0.24445 -0.09245 0.43793 0.00077 0.20850 0.11060 -0.11340 0.31615 0.03131 -0.02930 0.02208 0.06134 0.02867 0.00793 -0.00029 0.00986 -0.00195 -0.00161 0.00102 -0.00191 0.00174 -0.00007 0.00023 -0.00106 0.00031 -0.00047 -0.00107 -0.00023 -0.00092 0.00045 0.01353 0.02576 -0.00905 -0.00125 -0.00356 0.00035 0.00125 0.15241 -0.09532 -0.14020 0.03235 0.20898 0.07625 0.06372 0.00876 -0.14708 -0.13580 0.17714 0.08693 0.02982 -0.18509 0.02140 -0.13435 -0.02777 -0.00890 -0.07552 0.07798 -0.37862 -0.26217 -0.13108 0.87237 0.07508 0.14203 0.66798 -0.33521 0.16155 0.44587 0.12513 0.22730 -0.40745 0.17467 0.34285 -0.27623 -0.38932 0.56227 -0.09114 0.00954 0.06213 -0.03593 0.06421 -0.03816 -0.02948 0.03011 0.03130 0.01318 0.00007 0.00046 0.00122 0.00074 0.00008 0.00110 0.00133 0.00058 -0.00051 -0.01226 -0.04026 0.01078 0.00755 -0.06879 0.06079 0.10533 -0.04078 0.01184 -0.06898 0.09565 -0.08919 0.12697 0.12530 -0.04261 0.11869 0.01835 0.12895 -0.02828 0.37316 0.13299 0.70184 -0.09902 0.44815 0.10834 0.01345 -0.12416 -0.12615 0.05731 -0.94769 -0.74882 -0.01099 -0.64199 0.23944 -0.21610 -0.12444 1.41963 0.31366 0.89081 -0.07680 -0.24324 0.53613 0.36463 0.15559 0.37282 0.91732 -0.08164 -0.00374 0.06722 -0.07086 0.03108 0.00944 0.07137 -0.07938 -0.01419 0.00003 -0.00023 0.00067 -0.00021 -0.00001 0.00044 0.00019 0.00050 0.00062 -0.01034 -0.01335 -0.00268 0.00688 0.03628 -0.05468 -0.04514 -0.02383 0.18772 -0.11369 0.02090 -0.00278 0.11259 0.15391 -0.10695 -0.05559 0.13448 -0.22433 -0.15345 -0.24446 0.01863 -0.37437 -0.15564 -0.14608 -0.04992 -0.01136 0.11693 -0.33768 0.62854 0.12669 -0.02136 0.08384 -0.10297 0.50763 -0.54035 0.28981 -1.02000 0.06999 -0.42724 0.15385 0.22895 -1.27192 0.25094 0.17400 -0.23622 -0.17974 -0.04197 -0.04590 -0.03746 -0.02655 0.02726 -0.00106 -0.01233 0.00931 -0.00491 0.00000 0.00000 0.00001 0.00000 0.58053 -0.00012 0.00017 0.00011 -0.00043 -0.02783 -0.00600 0.00328 -0.11957 0.03943 0.00832 0.00812 0.04129 -0.01235 -0.03440 -0.01911 -0.03703 -0.00432 -0.00093 -0.00117 0.00327 0.01830 0.00187 -0.00277 0.03044 0.02426 -0.02073 0.02241 0.01147 -0.00047 0.00027 -0.00834 -0.00258 -0.00150 0.01244 -0.01974 -0.00615 0.02434 0.00285 0.00582 0.00527 -0.00208 0.00168 0.00184 0.00320 -0.03413 -0.01696 0.01786 0.02457 0.13582 -0.05746 0.00045 0.00144 -0.01376 -0.00374 -0.03827 -0.02812 -1.23329 -1.21311 0.00056 0.00000 0.00000 -0.00001 0.00000 0.45933 -0.00012 0.00019 0.00012 -0.00048 -0.03685 -0.00802 0.00437 -0.15858 0.05253 0.01093 0.01061 0.05445 -0.01699 -0.04624 -0.02548 -0.05013 -0.00578 -0.00127 -0.00156 0.00453 0.02488 0.00238 -0.00361 0.04035 0.03142 -0.02653 0.02921 0.01493 -0.00065 0.00052 -0.01294 -0.00414 -0.00230 0.01818 -0.02577 -0.00817 0.03246 0.00326 0.00946 0.00852 -0.00360 0.00324 0.00322 0.00486 -0.05277 -0.02665 0.02913 0.04014 0.22613 -0.09677 0.00060 0.00185 -0.01703 -0.00251 0.04149 0.03049 1.34133 1.32206 -0.00148 0.00003 0.00005 0.00016 0.00004 0.00858 0.00028 -0.00019 -0.00010 0.00052 0.10322 0.02440 -0.01287 0.45078 -0.15244 -0.02762 -0.02535 -0.14114 0.06119 0.14031 0.07280 0.16128 0.01730 0.00463 0.00430 -0.01742 -0.07592 -0.00162 0.00799 -0.09864 -0.05582 0.04044 -0.05720 -0.02770 0.00215 -0.00418 0.06625 0.02516 0.01268 -0.08339 0.05169 0.01921 -0.07952 0.00659 -0.06797 -0.06147 0.03061 -0.03420 -0.02829 -0.02715 0.32451 0.17469 -0.22431 -0.31092 -1.89391 0.85751 -0.00466 -0.01234 0.09101 -0.02377 -0.00770 -0.00561 -0.30253 -0.32113 -0.00519 -0.00015 -0.00002 -0.00051 0.00000 -0.00640 -0.00151 0.00035 0.00005 -0.00098 0.08793 0.01064 -0.00809 0.40827 -0.16946 -0.06142 -0.06838 -0.32031 -0.00266 0.14906 0.10625 0.09565 0.01737 -0.00259 0.01130 0.00907 -0.22520 -0.04396 0.06239 -0.56284 -0.58511 0.56193 -0.51773 -0.39269 0.01377 0.01372 -0.39106 -0.06411 0.02256 -0.20113 0.53691 0.11743 -0.33695 0.00888 0.03348 0.16708 -0.02144 0.17107 0.11183 -0.06359 0.16640 -0.01561 0.28756 0.41200 3.30163 -1.49180 0.00653 0.01420 0.04709 0.13981 0.00130 0.00050 0.30570 0.35513 0.02771 0.00005 0.00001 0.00005 0.00000 -0.00181 0.00016 0.00031 0.00024 -0.00081 -0.06054 -0.01036 0.00566 -0.20484 -0.00144 -0.00715 -0.00471 -0.16912 0.07748 0.24834 0.17419 0.40187 0.05973 0.02092 0.02431 -0.03624 0.25050 0.04634 -0.02463 0.30620 0.15478 -0.10740 0.13484 -0.17822 0.00089 0.00823 -0.43622 -0.06031 0.03682 -0.14548 0.40197 0.13011 -0.46400 -0.18251 0.02234 -0.14840 -0.05960 -0.16236 -0.08353 0.03023 -0.34119 -0.10088 0.02942 0.04735 0.00182 0.00938 0.00461 0.01047 -0.13336 -0.06196 0.00160 0.00155 0.00890 0.00531 -0.01055 0.00000 -0.00002 0.00002 -0.00003 0.00010 -0.00002 -0.00008 -0.00025 -0.00007 0.00358 0.00802 -0.00372 0.01041 -0.00391 -0.03790 -0.04306 0.09782 -0.05938 -0.01117 0.10287 0.06461 0.07441 0.04519 -0.00437 0.65291 0.00874 0.15729 0.06507 0.02894 -0.20461 -0.23153 -0.09919 0.01483 -0.03031 -0.11086 -0.07692 0.26263 0.23442 0.18958 -0.08061 0.06719 -0.13590 0.16335 0.01658 0.45859 0.29123 -0.48343 -0.12659 -0.10157 -0.01125 0.10731 0.03471 0.05581 -0.01048 -0.00594 0.02272 0.03500 0.01113 0.00425 0.00307 0.00263 -0.00085 -0.00011 0.00070 0.00000 0.00005 -0.00002 -0.00004 0.00003 -0.00001 -0.00021 0.00009 -0.00003 0.00109 -0.00347 -0.00662 0.00448 0.00444 -0.05199 0.04554 -0.01148 0.04123 -0.05158 0.01318 -0.02730 0.06942 -0.04591 0.66266 0.00639 -0.00882 0.09289 -0.24483 -0.01378 0.14027 -0.03775 -0.22740 -0.01261 -0.09488 0.02095 0.05979 -0.21105 0.25760 0.01145 -0.02996 0.36800 0.13482 0.01978 0.39024 -0.20165 -0.14422 -0.28836 0.42373 -0.18181 0.03406 0.08959 -0.09456 0.03707 0.00935 -0.00114 0.03257 -0.02217 0.00317 0.00246 -0.00346 0.00330 -0.00020 0.00001 0.00041 0.00016 0.00019 0.00021 0.00023 0.00220 0.00246 -0.00117 -0.00079 0.00314 -0.01094 0.00045 0.00019 -0.04717 0.00519 0.00642 0.00951 -0.02763 0.04655 0.10340 0.06449 0.18862 0.02470 0.01182 0.01049 -0.01986 0.18620 0.03868 -0.03120 0.32394 0.25149 -0.21797 0.21382 0.20219 -0.00907 -0.00954 -0.11267 0.00174 -0.01147 0.10441 -0.75732 -0.27863 1.14835 0.43671 -0.13136 0.16704 0.14803 0.19946 0.11455 -0.05898 0.50728 0.17175 -0.10303 -0.17616 -0.75129 0.57563 -0.00075 0.01967 -0.17641 -0.14840 -0.00184 -0.00313 -0.05671 -0.10064 -0.02958 0.00000 0.00016 -0.00035 0.00020 -0.00013 -0.00007 0.00009 0.00063 0.00027 0.00025 0.00477 -0.00197 0.00478 -0.00346 -0.00999 -0.01005 0.02966 -0.02666 -0.02115 0.02639 0.05233 0.02662 0.01975 -0.00280 0.31245 -0.00317 0.07085 0.03711 0.02537 -0.20761 -0.23956 -0.10468 0.00688 -0.03812 -0.11822 0.09002 -0.20391 -0.19004 -0.17292 0.20404 -0.07962 0.23276 -0.13040 -0.16680 -0.88084 -0.59596 0.90894 0.22551 0.05368 -0.11251 -0.27740 -0.24256 -0.35254 0.08781 -0.02369 -0.02760 -0.05553 -0.01325 0.00368 -0.02877 -0.02379 0.00466 0.00483 0.00085 0.00000 -0.00035 0.00014 0.00027 -0.00004 -0.00003 0.00051 -0.00016 0.00003 0.00129 -0.00059 -0.00438 -0.00004 0.00034 -0.01117 0.01402 0.00293 -0.00717 -0.00042 0.00096 -0.01319 0.00932 -0.01627 0.31997 0.00201 -0.00734 0.06340 -0.15078 -0.00528 0.16564 -0.03421 -0.26074 -0.01048 -0.13358 0.05075 -0.02291 0.15500 -0.20796 -0.03835 0.02613 -0.50863 -0.23095 -0.06871 -0.85546 0.44063 0.22519 0.47138 -0.62397 0.35043 0.00317 -0.43914 0.44244 -0.17099 -0.02120 -0.00546 -0.04466 0.02464 0.00561 0.00116 0.02653 -0.02640 0.00138 0.00175 0.00035 0.00000 0.00014 0.00009 0.00022 -0.00008 0.00006 0.00005 -0.00005 -0.00031 0.06166 -0.02522 0.11353 -0.03243 -0.12832 -0.21275 0.01969 -0.02028 -0.09950 -0.01952 -0.05125 -0.04679 0.02142 0.00181 -0.05537 -0.03697 0.08506 0.15329 -0.10505 -0.01543 0.01894 -0.05855 0.09549 -0.12139 0.06563 -0.00232 0.04116 0.01810 0.15751 0.17458 -0.04241 0.38341 -0.11251 0.08093 -0.47180 -0.36415 -0.02437 -0.14310 -0.06112 0.81153 0.41911 0.65981 0.10387 -0.24396 0.42731 0.34587 0.01020 0.00953 0.03871 -0.00562 -0.00081 -0.00597 0.02419 -0.01158 -0.00063 0.00005 -0.00045 -0.00040 0.00066 0.00000 0.00091 0.00024 0.00048 -0.00181 0.00199 -0.00433 0.01469 -0.01437 -0.05591 -0.10340 0.00796 -0.00443 -0.04245 -0.03337 -0.02681 -0.04814 0.02071 0.00037 -0.03568 -0.02826 0.61713 0.95880 -0.44519 -0.72960 -0.14608 0.24706 0.91760 -0.48961 0.17999 0.03543 0.17558 0.03488 0.10626 0.13185 0.02367 0.07091 -0.21810 -0.25928 1.49192 0.66155 0.07004 0.90281 -0.53132 -0.78383 0.27730 -0.10617 0.09782 -0.24256 -0.06753 -0.40330 0.04265 -0.02483 0.14291 -0.04059 0.00736 -0.04803 -0.00914 0.01952 -0.00908 0.00001 0.00020 0.00015 0.00014 -0.00008 0.00010 0.00016 -0.00004 -0.00024 0.05933 -0.08633 -0.07821 -0.03440 -0.13952 0.07308 -0.19783 -0.03408 -0.02234 -0.09747 0.02647 -0.04415 -0.02359 -0.00056 0.06227 -0.02301 0.08625 0.01754 0.18334 0.01893 0.09790 -0.06648 0.00815 -0.11274 -0.03976 0.02009 0.01411 0.13957 -0.05607 0.11437 -0.00941 -0.32910 -0.26008 0.08697 0.07046 -0.64745 0.38524 -0.27302 -0.07084 -0.33298 0.81159 -0.52931 -0.20624 0.14481 0.36382 0.33417 -0.00741 0.01033 0.03500 -0.00956 -0.00398 0.00248 0.02349 -0.01166 -0.00123 0.00005 0.00070 -0.00032 -0.00048 0.00002 0.00092 0.00088 0.00027 -0.00160 0.00480 -0.00737 -0.00996 -0.01442 -0.06268 0.03868 -0.09259 0.00443 -0.03923 -0.05258 0.01010 -0.03685 -0.02717 -0.00490 0.03815 -0.01995 0.62138 0.23168 1.06727 -0.46292 0.87619 -0.06433 -0.60151 -0.50971 -0.14128 0.10038 0.18427 0.09295 -0.04584 0.08050 -0.00061 0.01161 -0.29377 -0.39909 -0.39478 1.43133 -0.84424 0.35743 1.02091 0.47792 0.06233 0.06465 -0.27188 0.07451 -0.09868 -0.38114 -0.02720 0.01148 0.14273 -0.04189 -0.04344 0.02545 -0.01052 0.01874 -0.00922 0.00001 0.00000 0.00017 0.00001 0.00012 0.00016 -0.00001 0.00014 0.00007 0.05494 0.10862 -0.03563 -0.03929 -0.14524 0.11526 0.16051 0.03192 -0.10231 -0.01284 0.08101 0.00975 0.00073 -0.02524 0.01127 -0.00788 0.09799 -0.16828 -0.01952 -0.10436 -0.10064 -0.03226 0.00954 -0.08027 0.03504 -0.07941 -0.00126 0.01549 0.15722 0.20783 0.25735 -0.01851 0.24827 0.09041 0.37508 0.08766 0.35806 0.05818 0.28611 0.89876 -0.07785 -0.73617 0.32055 0.27500 -0.20559 0.24251 -0.00144 -0.01849 -0.01255 -0.01490 0.01162 0.00302 -0.00203 -0.01519 -0.00231 0.00006 -0.00015 0.00061 -0.00053 -0.00019 0.00110 -0.00087 0.00178 0.00084 -0.00069 0.02189 -0.00398 -0.00240 -0.05747 0.04847 0.06883 0.01416 -0.03006 -0.01274 0.04906 -0.00205 -0.00993 -0.02895 -0.00758 -0.04082 0.46564 -0.91867 -0.36493 -0.82500 -0.16584 -0.99655 0.04506 -0.45072 0.08150 -0.29651 -0.00846 0.05339 0.20792 0.35996 -0.01669 0.05821 0.06359 -0.00171 -0.35651 -0.07457 -1.70905 -0.03819 -0.93041 -0.78761 0.18887 -0.09883 -0.09714 0.29799 -0.08268 -0.38268 0.01372 -0.14881 -0.05802 -0.05753 0.02696 0.03726 -0.00535 0.02002 -0.01168 1 P 1S 2S 3S 4S 5S 6S 7PX 7PY 7PZ 8PX 8PY 8PZ 9PX 9PY 9PZ 10PX 10PY 10PZ 2 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 3 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 4 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 5 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 6 H 1S 2S 7 H 1S 2S 8 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 1 P 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 H 1S|2S|7 H 1S|2S|8 H 1S|2S 0.74215 1.22749 0.95123 1.03112 1.03038 0.10819 1.83607 1.83012 1.82989 0.16337 0.16587 0.16585 0.63367 0.56222 0.56147 0.16939 0.27067 0.29896 1.13221 0.85962 0.92693 0.93727 1.04211 1.25439 1.20790 0.30492 0.51597 0.48670 1.13223 0.85960 0.92985 0.93862 1.05820 1.28589 1.15483 0.32051 0.54876 0.43577 1.13215 0.85972 0.92134 0.92558 1.25261 1.06722 1.19793 0.53565 0.33123 0.47652 1.13262 0.85909 0.96476 0.98483 0.97328 1.20930 1.18947 0.30830 0.49076 0.48722 0.47311 0.13452 0.47297 0.13224 0.46176 0.11544 -5.7960 1.4470 -1.2555 6.1044 -34.7775 -34.8095 -37.2463 4.8683 -0.6662 -4.1195 0.8336 0.8016 -1.6352 4.8683 -0.6662 -4.1195 -24.7361 9.9541 -0.5221 2.6838 -8.2469 2.0413 -5.5026 6.2474 -7.2975 0.0371 -159.7156 -139.4324 -165.6342 12.5132 0.0413 3.0776 -17.5271 -4.1269 -2.7332 -53.5666 -38.1007 -49.0021 2.0092 1.5656 3.5353 0 0 0 0 0 0 0 0 94.97136099999999 AuxInfo=1/0/N:2,3,4,5,1/E:(1,2,3)/CRV:4.1,5.4/rA:8P4OOOO1HHH/rB:s1;s1;s1;s1;s2;s3;s4;/rC:;;;;;;;; 0.000000 1.702186 0.000000 1.714555 2.561398 0.000000 1.727825 2.764685 2.606749 0.000000 1.578270 2.760519 2.876148 2.789861 0.000000 2.300281 0.991895 2.511178 3.140436 3.585432 0.000000 2.336677 3.494632 0.988744 2.856389 3.239672 3.473624 0.000000 2.325111 3.284017 3.515186 0.990950 2.933087 3.823940 3.731540 0.000000 4.1373308 3.9463474 3.6157262 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= 63 63 63 63 63 MxSgAt= 8 MxSgA2= 8. 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 8 8 8 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 8 8 8 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 8 8 8 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 8 8 8 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 8 8 8 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 8 8 8 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 8 8 8 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 8 8 8 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 8 8 8 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 8 8 8 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 8 8 8 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 8 8 8 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 8 8 8 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 8 8 8 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 8 8 8 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 8 8 8 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 8 8 8 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 8 8 8 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 8 8 8 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= 820 NPrTT= 4029 LenC2= 796 LenP2D= 2923. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 64 RedAO= T EigKep= 1.34D-02 NBF= 64 NBsUse= 64 1.00D-06 EigRej= -1.00D+00 NBFU= 64 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= 63 63 63 63 63 MxSgAt= 8 MxSgA2= 8. 1 Closed 1 0 1 -643.110400877972 -643.215329351937 -0.104928473965 -643.293736114005 -0.078406762068 -642.573520684467 0.720215429538 -643.455523063578 -0.882002379111 -643.499541704599 -0.044018641021 -643.500046656270 -0.000504951670 -643.500192009074 -0.000145352805 -643.500193120255 -0.000001111180 -643.500213662838 -0.000020542583 -643.500213620144 0.000000042695 -643.500213715179 -0.000000095035 -643.500213734029 -0.000000018850 -643.500213738227 -0.000000004197 -643.500213738500 -0.000000000273 -643.500213738498 0.000000000002 -643.500213738504 -0.000000000006 -643.500213739 17 6.420559066581e+02 -2.075871463917e+03 5.149531817762e+02 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=3081688. IVT= 31622 IEndB= 31622 NGot= 402653184 MDV= 400457323 LenX= 400457323 LenY= 400452786 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= 2080 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -2.28032964e+00 5.69305116e-01 -4.93946547e-01 1 2 3 4 5 6 7 8 15 8 8 8 8 1 1 1 0.018776989 -0.005211438 0.005390421 -0.027128400 -0.030357544 -0.044053032 -0.023521200 -0.010619616 0.043427606 -0.033386639 0.053346687 -0.002600234 0.074320722 -0.007581921 -0.004123154 -0.005446819 -0.003320968 -0.006553987 -0.004929739 -0.000463633 0.008264602 0.001315086 0.004208434 0.000247779 0.074320722 0.026077049 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -643.533177622750 -643.533339806386 -0.000162183636 -643.533320898301 0.000018908085 -643.533343770406 -0.000022872106 -643.533344289075 -0.000000518669 -643.533349094591 -0.000004805516 -643.533349039446 0.000000055145 -643.533349131717 -0.000000092272 -643.533349132417 -0.000000000699 -643.533349142328 -0.000000009911 -643.533349142757 -0.000000000429 -643.533349142765 -0.000000000008 -643.533349142761 0.000000000004 -643.533349143 13 6.412610531628e+02 -2.048214394451e+03 5.017758560342e+02 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=3081688. IVT= 31622 IEndB= 31622 NGot= 402653184 MDV= 400457323 LenX= 400457323 LenY= 400452786 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= 2080 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. (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 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 -76.550506 -18.821212 -18.818949 -18.815861 -18.772047 -6.518812 -4.735319 -4.735157 -4.734537 -1.017257 -0.962027 -0.958715 -0.906536 -0.625453 -0.530523 -0.523156 -0.418886 -0.381858 -0.352840 -0.349074 -0.319782 -0.316149 -0.297067 -0.270185 -0.262099 -0.082725 -0.014462 0.004541 0.037709 0.061179 0.068257 0.092922 0.338140 0.387012 0.389802 0.419879 0.506099 0.522518 0.584343 0.603241 0.619652 0.649797 0.695175 0.723000 0.758331 0.777443 0.803358 0.805512 0.844526 0.936640 0.989151 1.283802 1.300862 1.467187 1.686058 4.537749 4.558977 4.630005 6.026858 41.344310 41.356536 41.437445 41.498364 166.355705 106.134012 29.118027 29.117945 29.117588 29.118798 15.610581 14.677440 14.678374 14.675961 2.514091 2.751503 2.782858 2.874633 2.374160 2.002859 2.020310 2.471222 2.178701 2.378209 2.432025 2.223065 2.316020 2.386104 2.312060 2.363983 3.228107 2.561078 2.321286 1.992871 2.087818 1.943111 2.439042 2.136476 2.471310 2.377363 2.995325 2.739615 2.702809 2.487845 2.475374 2.545272 2.375090 2.686573 2.610431 2.845141 2.908398 2.695455 3.085788 3.271270 2.564321 2.559808 4.811242 4.830296 4.830528 5.097003 11.457521 11.466879 11.509892 25.361909 105.859642 105.859024 105.853060 105.848227 431.221506 6.412610531628D+02 PT332S Thu Jun 8 19:45:13 2017 Mulliken charges: 1 1 2 3 4 5 6 7 8 P O O O O H H H 1.421899 -0.668014 -0.664267 -0.699949 -0.599617 0.392364 0.394784 0.422800 0.00000 -6.51881 -4.73532 -4.73516 -4.73454 -1.01726 -0.96203 -0.95872 -0.90654 -0.62545 -0.53052 -0.52316 -0.41889 -0.38186 -0.35284 -0.34907 -0.31978 -0.31615 -0.29707 -0.27019 -0.26210 -0.08272 -0.01446 0.00454 0.03771 0.06118 0.06826 0.09292 0.33814 0.38701 0.38980 0.41988 0.50610 0.52252 0.58434 0.60324 0.61965 0.64980 0.69518 0.72300 0.75833 0.77744 0.80336 0.80551 0.84453 0.93664 0.98915 1.28380 1.30086 1.46719 1.68606 4.53775 4.55898 4.63001 6.02686 41.34431 41.35654 41.43744 41.49836 166.35570 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 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 -76.55051 -18.82121 -18.81895 -18.81586 -18.77205 -6.51881 -4.73532 -4.73516 -4.73454 -1.01726 -0.96203 -0.95872 -0.90654 -0.62545 -0.53052 -0.52316 -0.41889 -0.38186 -0.35284 -0.34907 -0.31978 -0.31615 -0.29707 -0.27019 -0.26210 -0.08272 -0.01446 0.00454 0.03771 0.06118 0.06826 0.09292 0.33814 0.38701 0.38980 0.41988 0.50610 0.52252 0.58434 0.60324 0.61965 0.64980 0.69518 0.72300 0.75833 0.77744 0.80336 0.80551 0.84453 0.93664 0.98915 1.28380 1.30086 1.46719 1.68606 4.53775 4.55898 4.63001 6.02686 41.34431 41.35654 41.43744 41.49836 166.35570 0.39764 0.00000 0.00000 0.00000 0.00000 -0.11321 0.00028 -0.00016 -0.00052 0.01517 0.00076 -0.00106 0.00903 0.02081 0.00155 0.00149 -0.01221 0.00277 -0.00390 0.00413 -0.00026 0.00176 -0.00061 -0.00007 -0.00046 0.02141 0.00024 0.00012 -0.01117 -0.00528 -0.00688 -0.00694 -0.02239 -0.00221 -0.00159 -0.00285 0.00029 0.00226 -0.00234 0.00789 -0.00177 -0.00049 -0.00039 -0.00038 -0.00064 0.00137 -0.00127 -0.00304 0.00102 0.00122 -0.00059 -0.00042 0.00016 -0.00126 0.00351 -0.00011 -0.00004 -0.00115 0.10837 0.00001 0.00008 -0.00022 -0.00012 -1.51638 0.66912 0.00000 0.00000 0.00000 0.00001 -0.31678 0.00081 -0.00045 -0.00149 0.04456 0.00222 -0.00314 0.02663 0.06151 0.00455 0.00440 -0.03625 0.00826 -0.01159 0.01236 -0.00077 0.00526 -0.00178 -0.00019 -0.00134 0.06407 0.00076 0.00032 -0.03331 -0.01560 -0.02036 -0.02041 -0.06368 -0.00608 -0.00441 -0.00866 0.00087 0.00613 -0.00610 0.02116 -0.00478 -0.00120 -0.00117 -0.00103 -0.00194 0.00404 -0.00345 -0.00891 0.00292 0.00388 -0.00219 -0.00149 0.00014 -0.00289 0.01053 -0.00045 -0.00011 -0.00464 0.43464 0.00002 0.00010 -0.00025 -0.00003 1.80701 0.01424 0.00001 0.00002 0.00000 -0.00005 0.53387 -0.00149 0.00083 0.00274 -0.09592 -0.00476 0.00684 -0.05832 -0.13607 -0.00982 -0.00983 0.08172 -0.01900 0.02637 -0.02887 0.00186 -0.01230 0.00369 0.00014 0.00281 -0.14995 -0.00200 -0.00027 0.07702 0.03470 0.04556 0.04431 0.11732 0.00906 0.00688 0.02156 -0.00199 -0.00824 0.00588 -0.02584 0.00628 0.00008 0.00282 0.00128 0.00482 -0.00896 0.00479 0.01910 -0.00551 -0.01140 0.00911 0.00601 0.00331 -0.00235 -0.02608 0.00250 0.00017 0.02502 -2.45289 -0.00029 -0.00108 0.00254 -0.00068 -1.26316 -0.00489 -0.00004 -0.00005 -0.00002 0.00007 0.57493 -0.00129 0.00065 0.00232 -0.16421 -0.00834 0.01139 -0.09695 -0.23532 -0.01879 -0.01678 0.13926 -0.03058 0.04409 -0.04457 0.00233 -0.01867 0.00863 0.00205 0.00630 -0.24282 -0.00185 -0.00351 0.13475 0.07032 0.09063 0.09829 0.42304 0.05064 0.03527 0.03040 -0.00430 -0.05679 0.06624 -0.20997 0.04588 0.01867 0.00479 0.01058 0.00778 -0.02231 0.03181 0.05337 -0.02136 -0.00917 -0.00591 -0.00383 -0.01876 0.06202 -0.04747 -0.00298 0.00143 -0.02675 2.85275 0.00069 0.00156 -0.00218 0.00616 0.82371 0.00179 -0.00045 -0.00047 -0.00052 -0.00015 0.05234 -0.00014 0.00053 0.00049 0.30817 0.01606 -0.02124 0.18941 0.48525 0.04439 0.03213 -0.31691 0.07108 -0.10230 0.10261 0.00931 0.04127 -0.03329 -0.01592 -0.01856 0.45070 -0.00174 0.02491 -0.28147 -0.21442 -0.27313 -0.35365 -2.25859 -0.26995 -0.17932 0.03936 0.01951 0.30966 -0.12612 0.93880 -0.24003 -0.04739 -0.03531 -0.08282 -0.05929 0.23754 -0.18501 -0.56412 0.24977 0.13220 -0.08255 -0.01398 0.10622 -0.28129 -0.71058 0.00201 -0.02623 -0.01215 -1.62448 -0.00157 0.00339 -0.02611 0.07224 -0.33689 -0.00072 0.00284 0.00301 0.00305 0.00277 -0.01500 -0.00042 -0.00131 -0.00015 0.03975 0.00255 -0.00609 0.02212 0.16356 0.00795 0.02643 -0.05250 -0.00519 -0.02024 -0.01025 -0.07814 0.01180 0.05174 0.04839 0.00663 0.97175 0.02794 -0.07986 -0.69268 -0.05380 -0.08438 0.19098 3.65597 0.36802 0.22302 -0.66204 -0.00367 -0.37063 -0.80713 0.35067 0.01061 -0.51618 0.35754 0.08933 0.35186 -0.97798 0.39449 2.04010 -0.91001 -0.62891 0.52475 0.21756 -0.08058 -0.21077 4.06499 -0.00043 0.10690 0.05902 0.64979 0.00300 -0.00802 0.01974 -0.45738 0.13601 -0.00003 0.00000 0.00000 0.00000 0.00003 -0.00491 -0.51015 0.20314 0.74809 0.02028 -0.00921 0.01018 -0.09272 0.06656 -0.02789 -0.01088 0.09541 0.00033 0.06470 0.06481 0.01327 -0.03551 -0.00646 0.00221 -0.00493 0.03964 0.02445 -0.01133 0.06516 -0.04885 -0.05614 -0.16028 0.04653 0.00077 0.02342 0.27178 0.00264 0.03300 -0.02332 0.03105 0.01669 0.05794 -0.04030 0.01446 -0.00901 0.02039 0.00500 0.01245 -0.00277 0.00849 0.00183 -0.00384 0.00873 0.01534 0.01600 -0.00796 0.03417 -0.16904 -0.00106 -0.00013 0.00040 -0.00021 -0.00092 0.00007 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00011 -0.05133 0.88498 -0.27544 0.00242 -0.05795 0.00567 0.00509 0.00260 0.06824 -0.10758 0.02047 -0.06518 -0.05554 0.03202 -0.00740 -0.00574 -0.00733 -0.00225 -0.02813 -0.00820 0.05615 0.15973 0.01247 -0.13520 0.01970 0.04704 -0.02929 0.12085 0.22130 -0.00882 -0.01447 -0.00441 -0.03447 -0.00346 -0.01902 0.01459 -0.02081 -0.02139 0.04769 -0.03286 -0.00924 0.01570 0.01429 0.00624 -0.01298 0.00088 0.03010 0.01501 0.00334 0.09090 -0.15321 -0.03193 -0.00017 -0.00025 0.00098 0.00023 -0.00002 0.00003 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00051 0.77374 0.19275 0.47528 -0.00013 -0.01085 -0.05472 -0.01028 0.00356 0.10405 0.05947 0.05840 0.07306 -0.03760 0.00704 0.00427 0.00005 -0.00407 -0.04189 -0.00421 0.00550 -0.18047 0.05378 0.03642 -0.00784 -0.09690 0.03150 -0.00487 0.22740 -0.12185 0.01208 0.01028 0.04088 -0.01103 -0.00772 -0.02595 -0.01227 -0.00937 -0.03804 -0.01587 0.02172 -0.01285 0.02010 0.00621 -0.02124 -0.02167 0.02586 0.00012 0.00724 0.00384 -0.15875 -0.08940 -0.00982 -0.00015 0.00084 0.00017 0.00004 -0.00014 0.00003 0.00001 -0.00001 -0.00002 0.00000 0.00017 -0.00149 -0.12690 0.05049 0.18606 0.00409 -0.00170 0.00160 -0.01360 0.00961 -0.00479 -0.00158 0.01427 0.00039 0.00677 0.00801 0.00127 -0.00224 -0.00043 0.00128 -0.00031 0.00371 0.00337 -0.00191 0.00957 -0.00699 -0.00734 -0.01756 0.00329 -0.00242 0.00206 0.05520 0.00031 0.00767 -0.02150 0.00744 0.00217 0.02276 -0.02440 0.01018 -0.01794 0.00876 -0.01241 0.01384 -0.00660 0.02652 0.00885 -0.01408 -0.01811 0.03962 -0.00193 0.05831 -0.25716 1.34664 0.01492 0.00052 0.00325 -0.00962 -0.00420 0.00027 0.00000 -0.00001 0.00002 -0.00001 -0.00001 -0.00003 -0.01279 0.22031 -0.06861 0.00024 -0.00938 0.00084 0.00063 0.00033 0.00970 -0.01492 0.00243 -0.00762 -0.00687 0.00257 -0.00101 -0.00228 -0.00206 0.00028 -0.00508 -0.00051 0.00609 0.01760 0.00228 -0.01346 0.00185 0.00654 -0.00651 0.02412 0.05169 0.00072 -0.00518 -0.00253 -0.01247 -0.00794 -0.02694 -0.00204 -0.00608 -0.01352 0.00856 -0.01992 -0.01002 0.00407 0.00856 0.01813 -0.00745 -0.00592 0.03078 0.00112 0.00138 -0.67213 1.15084 0.25490 0.00278 0.00131 -0.00103 0.00065 0.00021 0.00017 0.00000 0.00002 0.00000 -0.00002 0.00002 -0.00016 0.19269 0.04796 0.11834 -0.00006 -0.00166 -0.00869 -0.00138 0.00047 0.01444 0.00808 0.00744 0.00887 -0.00363 0.00034 -0.00090 0.00099 -0.00187 -0.00677 -0.00074 0.00067 -0.01965 0.00677 0.00412 0.00114 -0.00989 0.00335 -0.00248 0.05182 -0.02728 0.00590 0.00265 0.01568 -0.00667 -0.00744 -0.00129 -0.02295 -0.00053 -0.00674 -0.00583 0.01131 -0.01958 0.00451 -0.00390 -0.00203 -0.01845 0.03127 0.00528 0.01200 0.00323 1.17269 0.67250 0.07881 0.00262 -0.00132 -0.00211 -0.00111 -0.00030 0.00013 0.00000 -0.00006 0.00000 -0.00003 0.00001 -0.00008 -0.02124 0.00868 0.03115 -0.03928 0.01754 -0.01839 0.17061 -0.14563 0.06456 0.02545 -0.22856 -0.00245 -0.15896 -0.15283 -0.03334 0.08674 0.01673 -0.00566 0.01131 -0.11011 -0.06578 0.03328 -0.18093 0.14658 0.16307 0.42767 -0.11360 0.02328 -0.08717 -1.22782 -0.01340 -0.16716 0.22821 -0.13956 -0.08799 -0.41422 0.37938 -0.15220 0.22904 -0.15526 0.11165 -0.15441 0.07922 -0.27524 -0.04887 0.07186 0.04599 -0.20994 0.02405 -0.05076 0.23405 -1.25239 -0.01719 0.00176 -0.00438 -0.00637 0.00043 -0.00066 0.00000 -0.00009 0.00015 -0.00014 -0.00001 0.00003 -0.00206 0.03555 -0.01077 -0.00420 0.10438 -0.00965 -0.00897 -0.00579 -0.15514 0.23966 -0.04302 0.14730 0.12217 -0.07359 0.01585 0.01384 0.01800 0.00542 0.06762 0.01861 -0.14581 -0.42326 -0.04211 0.35782 -0.05461 -0.15063 0.13160 -0.53938 -1.04559 0.01480 0.08833 0.04279 0.21923 0.06153 0.25083 -0.04230 0.14107 0.19687 -0.29449 0.29931 0.13549 -0.08349 -0.14032 -0.16279 0.15845 0.02931 -0.21896 -0.06314 -0.04004 0.59449 -1.02908 -0.23779 -0.00196 0.00382 -0.01414 -0.00284 0.00182 -0.00016 0.00000 0.00012 -0.00002 -0.00018 0.00001 0.00002 0.03083 0.00786 0.01898 -0.00007 0.01954 0.09798 0.01796 -0.00771 -0.23167 -0.13368 -0.13165 -0.16078 0.08555 -0.01958 -0.01073 -0.00025 0.00951 0.10179 0.00893 -0.01507 0.47161 -0.14717 -0.09797 -0.00191 0.26272 -0.08973 0.03434 -1.06026 0.56157 -0.07679 -0.04429 -0.25407 0.09056 0.08463 0.11204 0.20607 0.05581 0.22109 0.10140 -0.20925 0.21377 -0.12329 0.02776 0.15489 0.26656 -0.21294 -0.03058 -0.09696 -0.03818 -1.03527 -0.60299 -0.07480 -0.00288 -0.01344 -0.00354 -0.00269 0.00185 -0.00028 0.00013 -0.00132 -0.00085 -0.00168 0.00220 0.00179 0.00448 -0.00060 -0.00588 -0.00172 0.00795 0.00609 -0.00921 -0.04424 0.04920 -0.00052 -0.11836 0.00074 0.10466 -0.07301 0.04536 -0.13641 -0.04445 -0.08806 0.00158 0.06926 -0.11889 0.06346 -0.27913 0.23295 0.27252 1.35063 -0.60825 -0.15959 0.19265 1.79988 0.09305 0.26536 0.98046 0.57794 -0.16277 0.24915 -0.45780 0.23864 -0.64117 0.56861 -0.64065 -0.62601 -0.05336 1.04465 -0.23224 0.26878 0.32446 -2.15089 -1.23754 0.02164 -0.18945 0.40235 -0.10832 0.01282 0.01477 -0.23481 0.09504 -0.02449 0.00000 -0.00024 0.00125 -0.00064 -0.00001 -0.00001 0.00119 -0.00826 0.00233 0.00888 -0.01189 0.00504 -0.00018 -0.00124 -0.03064 0.07778 -0.05730 0.07207 0.14720 0.04254 0.04394 0.10767 0.10044 -0.03953 0.19647 0.03283 -0.24183 -0.57915 -0.02800 0.92863 -0.08193 -0.07067 -0.24802 0.87409 1.56365 -0.01123 -0.12511 -0.16344 -0.21292 0.19750 0.65204 0.26930 -0.47066 -0.14931 1.61150 -0.09159 -0.37255 0.03514 0.08204 0.47151 -0.68707 -0.01419 -1.07133 -0.22739 0.09416 -0.29956 0.43696 0.13254 -0.00024 0.03777 -0.09971 -0.00803 -0.00331 0.00038 0.00001 0.00099 -0.00025 -0.00075 0.00014 0.00015 -0.00684 -0.00230 -0.00477 0.00195 -0.00833 -0.00638 -0.00306 -0.00333 -0.07454 -0.01834 -0.07558 -0.16205 0.00460 0.05735 0.09385 -0.05480 0.11344 0.19771 0.03262 -0.00546 0.69598 -0.21805 -0.23365 0.28206 0.65377 -0.19874 -0.12505 1.51880 -0.77099 -0.00488 -0.08856 0.18136 0.12418 0.13065 -0.37193 0.56942 -0.38264 -0.82294 0.01095 0.99143 0.05587 0.60189 0.49011 -0.81611 -0.70246 -1.05914 0.12793 -0.09055 -0.04051 0.46697 0.29231 0.08616 -0.00947 -0.08655 -0.03902 -0.01423 0.00722 -0.00191 0.00000 0.00037 0.00043 0.58056 0.00000 -0.00002 0.00004 0.00009 0.00006 -0.06776 0.07461 0.08036 0.02513 0.02604 -0.00990 -0.00921 0.00117 0.02391 -0.03141 0.03326 0.00398 -0.00304 0.00109 -0.00937 -0.00461 0.03352 -0.03074 0.03556 0.00544 -0.00424 0.01233 -0.00991 0.01287 0.00190 0.00473 0.00529 0.00381 0.00816 -0.01630 -0.00778 -0.00032 -0.00900 0.00500 0.00695 -0.00110 -0.02197 0.02131 -0.00120 -0.02745 -0.03431 -0.01607 -0.08659 -0.06412 -0.05236 -0.08292 0.00338 0.00426 0.00069 -0.00073 0.72125 1.13564 0.57913 -0.92170 -0.00005 0.00000 0.00027 0.00032 0.45931 -0.00001 0.00001 0.00001 0.00006 0.00005 -0.08988 0.09898 0.10663 0.03340 0.03492 -0.01296 -0.01228 0.00125 0.03191 -0.04189 0.04508 0.00593 -0.00430 0.00196 -0.01216 -0.00568 0.04524 -0.04069 0.04739 0.00711 -0.00529 0.01640 -0.01319 0.01664 0.00396 0.00718 0.00846 0.00439 0.01053 -0.02186 -0.01208 0.00023 -0.01367 0.00740 0.01037 -0.00127 -0.03236 0.03053 -0.00204 -0.04221 -0.05254 -0.02455 -0.14274 -0.10607 -0.08863 -0.14035 0.00338 0.00337 -0.00088 0.00056 -0.78308 -1.23348 -0.63064 1.00561 -0.00004 0.00003 0.00025 0.00021 0.00846 0.00007 0.00015 0.00024 -0.00016 -0.00018 0.25491 -0.28105 -0.30290 -0.09610 -0.10573 0.03118 0.03507 0.00295 -0.09129 0.11922 -0.14532 -0.03124 0.01799 -0.01736 0.02685 0.00511 -0.13417 0.10221 -0.12549 -0.01461 0.00735 -0.03899 0.03261 -0.02385 -0.05077 -0.04047 -0.05951 0.00641 -0.01941 0.05725 0.06979 -0.01693 0.07585 -0.03680 -0.05249 0.00127 0.16665 -0.12748 0.01606 0.25980 0.31409 0.15362 1.13071 0.85103 0.77595 1.26565 -0.00860 0.01709 0.04769 -0.03195 0.16699 0.26722 0.15016 -0.25406 -0.00543 -0.00004 -0.00068 -0.00057 -0.00596 -0.00016 -0.00027 -0.00065 0.00041 0.00047 0.22907 -0.26669 -0.28652 -0.09120 -0.10374 0.08474 0.05096 -0.03839 -0.15767 0.21078 -0.11219 0.06024 -0.01902 0.06430 0.10692 0.09988 -0.37721 0.46220 -0.53557 -0.13831 0.06322 -0.32946 0.25172 -0.51149 0.42717 0.06302 0.22823 -0.13869 -0.09106 0.32165 0.04259 0.06309 0.07143 -0.12087 -0.12386 -0.00392 -0.03679 -0.31939 -0.03176 -0.31298 -0.20046 -0.54343 -1.62289 -1.22888 -1.35358 -2.26343 0.00825 -0.05749 -0.12078 0.04561 -0.14260 -0.23979 -0.16484 0.29402 0.00686 -0.00001 -0.00001 0.00002 -0.00087 0.00005 -0.00023 0.00013 0.00023 0.00007 -0.03648 0.05584 0.05542 0.03836 0.17472 0.39395 0.03339 0.05374 -0.20525 0.14586 -0.26095 0.09089 -0.06182 -0.18454 0.08479 0.09854 0.00327 -0.05574 0.05111 0.14186 0.21082 0.31696 -0.22995 -0.07814 0.00471 0.04431 0.01164 -0.29045 0.01752 0.22023 0.07966 0.00002 -0.05982 0.28525 0.02952 -0.36563 -0.39265 -0.36587 0.24112 -0.38979 0.07506 -0.00846 0.06255 -0.00036 -0.06761 0.05795 -0.01431 -0.03833 -0.01782 0.01604 0.00016 -0.00099 -0.00502 -0.00165 0.00279 -0.00002 0.00000 0.00004 0.00032 -0.00002 -0.00029 0.00010 0.00002 0.00025 0.02529 -0.00722 -0.01628 0.00307 0.13335 0.22650 0.07146 0.11436 0.09962 0.13128 0.18064 -0.17804 0.18036 0.48233 0.00375 -0.13094 -0.15256 0.13958 0.07821 0.00266 0.07844 0.27075 0.08293 -0.08359 -0.13972 -0.17444 0.11728 0.26177 -0.21936 -0.21110 0.00942 0.12511 -0.41649 -0.35157 -0.16656 0.15208 -0.39350 -0.15933 0.08934 -0.14153 0.01053 -0.08609 0.06340 -0.02852 0.05337 0.07682 -0.03262 -0.02120 -0.02714 0.02039 0.00343 0.00077 0.00362 -0.00433 0.00362 -0.00002 0.00001 -0.00003 0.00127 -0.00003 -0.00027 -0.00004 0.00024 0.00010 0.07795 -0.07011 -0.06956 -0.01552 0.10432 0.13445 -0.04806 0.07481 0.02764 -0.28888 0.35338 0.31459 -0.20303 -0.03436 0.03400 0.15569 -0.26059 -0.00062 -0.21546 -0.02159 0.17024 0.10980 0.09429 0.11397 -0.25861 0.07891 -0.06853 0.00758 0.40029 -0.46435 0.04351 -0.34305 -0.15643 0.08572 -0.00187 -0.11096 0.18541 -0.18883 -0.03778 -0.08966 -0.04320 -0.30729 0.03593 0.07398 0.05510 0.02132 -0.01107 -0.04447 -0.03693 0.01872 0.00333 0.00682 0.00382 -0.00246 0.00326 0.00001 0.00012 -0.00011 0.00072 -0.00053 0.00018 0.00015 -0.00064 -0.00030 -0.00693 0.00313 0.00926 0.00503 0.03998 0.12018 0.02341 -0.00428 -0.11847 0.05880 -0.11063 0.07247 -0.00732 -0.07586 0.04912 0.05815 0.02348 -0.07272 0.06872 0.10570 0.39078 0.53473 -0.23957 -0.26703 0.13503 -0.01939 -0.08091 0.39404 0.11608 -0.17060 -0.20345 0.15681 0.55927 -0.53600 -0.17929 0.79842 0.73329 1.06716 -0.57047 0.82343 -0.48582 -0.44914 -0.17904 0.08196 0.64919 -0.05957 -0.00373 0.04921 0.06130 -0.00669 -0.00141 0.00709 0.04832 0.01063 -0.00104 0.00000 -0.00014 -0.00050 -0.00062 -0.00002 -0.00008 0.00020 0.00088 -0.00026 0.00922 -0.01073 -0.01345 -0.00500 0.03158 0.07502 0.03331 0.03407 0.03228 0.06462 0.11134 -0.08617 0.08199 0.26767 0.03024 -0.07242 -0.08711 0.10019 0.04315 0.01120 0.16811 0.36367 0.03287 -0.23869 0.11150 -0.01409 0.00348 -0.26585 0.33549 0.55102 -0.04045 -0.16318 0.86917 0.41061 0.17019 -0.32544 0.86774 0.44812 -0.33025 0.39504 -0.15360 -0.05495 -0.27648 0.21251 -0.15415 -0.54345 0.02319 -0.07039 -0.00176 0.00561 -0.02216 0.00276 -0.02356 0.05245 0.00084 -0.00005 -0.00045 -0.00014 -0.00159 -0.00001 -0.00086 0.00093 0.00084 0.00085 0.02602 -0.02970 -0.02701 -0.00896 0.02996 0.05161 -0.02036 0.01783 0.02127 -0.12929 0.18629 0.20013 -0.10970 0.00201 0.02497 0.11730 -0.18885 0.04166 -0.19041 -0.01427 0.21846 0.10346 0.09864 -0.37407 0.14145 0.04674 0.14973 -0.02916 -0.50081 0.84499 -0.05617 0.56956 0.39009 -0.22203 0.00345 0.29104 -0.14122 0.26359 -0.11083 0.31103 0.25118 0.48545 -0.19950 -0.34638 -0.41110 -0.65403 -0.07506 -0.08780 -0.04764 0.05340 -0.01123 -0.03956 -0.03921 0.06818 0.01018 0.00000 0.58056 -0.00076 -0.00037 -0.00002 -0.00002 -0.00010 0.00003 0.00000 -0.07255 0.02744 -0.10496 0.02025 0.02060 -0.00491 0.01402 -0.02378 -0.02760 0.00509 0.03670 0.00075 -0.00303 -0.00713 0.00003 -0.00117 0.03466 0.03729 0.01913 0.02134 0.00409 -0.00868 -0.01194 0.01368 -0.00809 0.00035 -0.00280 -0.00232 -0.01822 -0.00274 0.00217 -0.00325 0.00321 0.00565 -0.00507 -0.00586 0.00247 0.01167 0.02854 0.02196 -0.00836 -0.03797 0.11686 -0.03758 -0.02008 -0.07648 -0.00417 -0.00024 0.00314 -0.00014 -1.43724 -0.00814 0.44998 -0.85237 -0.00016 0.00000 0.45932 -0.00063 -0.00032 -0.00002 0.00000 -0.00006 0.00001 0.00001 -0.09624 0.03644 -0.13923 0.02695 0.02766 -0.00664 0.01844 -0.03218 -0.03674 0.00738 0.04911 0.00086 -0.00388 -0.00995 -0.00086 -0.00143 0.04686 0.04932 0.02561 0.02843 0.00534 -0.01145 -0.01560 0.01767 -0.01217 0.00133 -0.00293 -0.00235 -0.02522 -0.00249 0.00211 -0.00461 0.00495 0.00831 -0.00874 -0.00967 0.00263 0.01783 0.04192 0.03423 -0.01234 -0.05752 0.19331 -0.06210 -0.03445 -0.13002 -0.00341 0.00006 0.00217 0.00123 1.56073 0.00885 -0.49009 0.93012 0.00025 0.00003 0.00839 0.00022 0.00030 0.00008 0.00021 0.00004 0.00003 -0.00011 0.27336 -0.10442 0.39485 -0.07829 -0.08509 0.02112 -0.04656 0.10240 0.10352 -0.03507 -0.14316 0.00145 0.00689 0.03826 0.02263 0.00130 -0.14098 -0.12217 -0.07073 -0.07318 -0.00850 0.02591 0.03613 -0.02550 0.06922 -0.03002 -0.01737 -0.01262 0.08548 -0.02323 0.01155 0.01767 -0.02962 -0.03959 0.07033 0.07384 0.01333 -0.10743 -0.21385 -0.22480 0.05685 0.32864 -1.54640 0.49781 0.31415 1.18766 -0.01205 -0.00807 0.02091 -0.03864 -0.33530 -0.00179 0.11784 -0.23714 -0.00629 -0.00004 -0.00584 -0.00063 -0.00107 -0.00010 -0.00033 0.00002 -0.00003 0.00027 0.24280 -0.09357 0.37794 -0.07268 -0.07668 0.02001 -0.10691 0.09459 0.18044 0.06509 -0.22300 -0.03255 0.03916 -0.01027 -0.11623 0.02316 -0.37995 -0.61220 -0.26444 -0.39377 -0.20534 0.20868 0.15947 -0.50488 -0.20272 0.33480 0.38546 0.10739 0.19706 0.24240 -0.02819 0.07976 0.03313 -0.08516 0.03676 -0.13964 -0.20388 0.09239 0.07752 0.44804 0.39390 -0.13585 2.18682 -0.75040 -0.78776 -2.25658 0.03219 0.00597 -0.06370 0.05465 0.29186 -0.00111 -0.14388 0.28389 0.00753 -0.00001 0.00085 -0.00002 -0.00004 0.00005 -0.00022 -0.00023 0.00008 -0.00012 0.05457 -0.01646 0.06280 -0.00006 0.08748 -0.05633 -0.13938 -0.19093 -0.23314 0.14717 0.11591 -0.28604 -0.34134 0.09754 -0.27842 0.08975 -0.19142 -0.24830 -0.01505 0.17263 0.08602 -0.05148 -0.04677 0.03843 0.03063 -0.04165 -0.18195 0.26347 -0.32302 0.07571 0.29168 -0.47368 0.24198 -0.28201 0.26483 -0.12910 -0.00192 -0.04429 0.17116 -0.02725 -0.01868 -0.03972 -0.08543 0.04336 -0.09407 0.02169 0.04517 0.00512 -0.02250 0.01383 -0.00736 -0.00044 -0.00440 -0.00304 0.00233 0.00000 0.00117 0.00002 -0.00002 -0.00002 -0.00006 -0.00011 -0.00010 0.00009 0.06758 -0.01654 0.09395 -0.01772 -0.00255 -0.03321 0.09525 -0.08608 -0.17225 0.25985 0.33936 0.10052 0.34630 -0.29412 -0.02104 -0.03623 -0.18598 -0.16715 0.10580 -0.10040 -0.09420 0.07835 0.10083 0.09522 0.02243 -0.21888 -0.01988 -0.38657 -0.35963 -0.33158 0.24518 0.06711 0.29450 0.11745 -0.13664 0.11477 -0.07841 -0.05362 -0.27423 0.00789 0.23275 -0.22278 -0.07288 -0.01358 -0.00883 -0.00435 0.01115 0.01658 -0.01773 0.00297 -0.00618 -0.00158 0.00176 -0.00111 0.00055 0.00003 0.00033 -0.00002 0.00003 0.00002 0.00042 0.00030 -0.00009 -0.00006 -0.00154 -0.00415 0.04722 -0.01198 -0.27680 0.17438 0.38727 -0.13713 -0.08838 -0.13055 0.13066 -0.04028 -0.19595 0.07081 -0.00115 0.00959 0.10607 -0.02064 -0.07861 -0.21841 -0.29585 0.16294 -0.28968 0.07331 0.05606 0.13698 0.07634 0.12548 -0.26490 0.20517 -0.07229 0.04183 -0.11252 0.01547 0.10523 0.10456 0.33736 -0.31596 -0.49860 -0.39516 -0.13027 -0.22705 0.10824 0.03673 0.00986 -0.03752 -0.04086 -0.01061 0.04026 -0.02911 0.00194 0.00199 -0.00218 0.00131 -0.00508 -0.00005 -0.00103 -0.00004 -0.00005 -0.00044 -0.00076 -0.00065 0.00044 0.00067 0.01739 -0.00662 0.03144 0.00111 0.02650 -0.01488 -0.05544 -0.10873 -0.09600 0.08973 0.06022 -0.16896 -0.16561 0.04107 -0.18455 0.05941 -0.13602 -0.22450 -0.01204 0.11438 0.09096 -0.12458 0.05921 -0.21439 -0.08001 0.10018 0.10036 -0.28852 0.38714 -0.02560 -0.53900 0.77020 -0.46675 0.45021 -0.29838 0.30207 -0.03193 -0.01584 -0.52231 0.02291 0.17122 0.04068 0.38005 -0.22041 0.24754 -0.38847 0.01413 0.00197 -0.07677 0.04994 0.03944 -0.00136 0.01418 0.04664 0.00988 -0.00005 -0.00126 -0.00036 -0.00010 0.00004 -0.00081 -0.00077 0.00083 -0.00014 0.01774 -0.00123 0.03161 -0.00471 0.00600 -0.01575 0.03356 -0.03525 -0.09895 0.14036 0.15498 0.03674 0.19076 -0.17402 -0.03693 -0.04656 -0.14568 -0.16431 0.02734 -0.13216 -0.17030 0.08230 0.05947 -0.11043 -0.09966 0.02531 0.05814 0.49190 0.53556 0.50450 -0.35508 -0.16634 -0.39693 -0.14459 0.18395 -0.38462 0.05761 0.12099 0.30070 -0.09129 -0.41911 0.73214 0.46095 0.09769 -0.08337 -0.38488 0.07315 -0.02917 -0.05007 0.05296 0.03436 0.01836 -0.02192 0.03898 0.00968 -0.00003 0.00009 0.00036 0.00042 -0.00011 -0.00044 0.00026 -0.00081 -0.00032 -0.01062 0.00390 -0.00864 0.00013 -0.06512 0.05763 0.14420 -0.03987 -0.07667 -0.07764 0.04142 -0.06474 -0.08639 0.06092 0.05725 -0.03482 0.03723 -0.00249 -0.15008 -0.39061 -0.43523 0.27127 -0.45360 0.48930 0.01542 -0.18986 -0.34645 -0.07697 0.38616 -0.65613 0.18643 -0.28685 0.43730 -0.02741 -0.43914 -0.24162 -0.98655 0.83910 1.15699 0.63264 -0.16050 1.17515 -0.01940 -0.12163 0.33926 0.50997 -0.02217 0.04618 0.05552 0.03000 0.00369 -0.00033 0.04116 -0.05259 0.00564 0.00000 0.00076 0.58056 -0.00044 -0.00002 -0.00001 -0.00001 -0.00007 0.00006 -0.06192 -0.10827 0.02847 0.03309 0.01768 0.00695 -0.00046 -0.02834 0.03724 0.02603 0.01256 0.00685 -0.00139 -0.00556 0.00417 -0.00241 0.03505 -0.00629 -0.04063 0.02139 -0.00574 0.00259 -0.01104 0.01540 0.00490 -0.00713 -0.01227 0.01055 0.00553 -0.00288 0.00216 0.01175 -0.00173 0.00266 -0.00158 0.02221 -0.01040 0.01241 0.01874 -0.02392 0.02923 -0.00473 -0.01279 0.12218 0.00087 -0.08188 0.00186 -0.00483 0.00199 -0.00001 0.63881 -1.29504 0.30778 -0.90267 -0.00020 0.00000 0.00058 0.45932 -0.00037 -0.00003 0.00000 0.00001 -0.00003 0.00003 -0.08219 -0.14359 0.03775 0.04395 0.02376 0.00920 -0.00036 -0.03816 0.04997 0.03459 0.01655 0.00926 -0.00259 -0.00787 0.00570 -0.00391 0.04727 -0.00834 -0.05390 0.02827 -0.00807 0.00322 -0.01461 0.02046 0.00630 -0.01105 -0.01693 0.01444 0.00759 -0.00349 0.00181 0.01672 -0.00253 0.00423 -0.00139 0.03294 -0.01564 0.01820 0.02913 -0.03653 0.04285 -0.00620 -0.02077 0.20232 0.00212 -0.13826 0.00097 -0.00419 0.00199 0.00139 -0.69364 1.40675 -0.33519 0.98493 0.00034 0.00003 0.00026 0.00840 0.00022 0.00013 0.00026 -0.00013 -0.00004 0.00000 0.23429 0.40709 -0.10674 -0.12571 -0.07363 -0.02438 -0.00549 0.11688 -0.14966 -0.09572 -0.04229 -0.02921 0.02484 0.03260 -0.01928 0.02706 -0.13941 0.02081 0.13717 -0.06728 0.02923 -0.00102 0.03977 -0.04636 -0.00635 0.07342 0.05324 -0.04595 -0.02682 -0.00085 0.02054 -0.06747 0.01185 -0.02809 -0.01677 -0.17103 0.07805 -0.09358 -0.18414 0.22278 -0.21308 0.01085 0.15608 -1.62867 -0.03088 1.24077 0.02137 -0.00493 -0.00618 -0.04093 0.14820 -0.30602 0.07904 -0.24924 -0.00671 -0.00005 -0.00081 -0.00583 -0.00065 -0.00029 -0.00054 0.00041 0.00028 -0.00013 0.20350 0.38775 -0.10216 -0.12357 -0.06379 -0.04769 0.03199 0.13746 -0.19745 -0.17961 -0.11370 -0.03279 -0.10296 -0.02213 -0.01140 -0.07980 -0.40124 0.11804 0.65711 -0.43619 0.10004 -0.14253 0.06307 -0.39295 -0.27113 -0.34472 0.30960 -0.08618 0.03263 0.19412 -0.12074 -0.17009 0.02236 0.04548 0.16378 -0.13288 0.26738 0.13545 0.16267 -0.41920 0.06021 0.21265 -0.11534 2.39897 -0.02588 -2.24749 -0.04300 0.00323 0.00617 0.06735 -0.12417 0.27772 -0.09007 0.28881 0.00993 0.00000 -0.00002 0.00134 -0.00007 0.00004 0.00000 0.00005 -0.00011 -0.00001 0.06426 0.11564 -0.03184 -0.02435 -0.04078 0.04636 -0.03602 -0.25040 0.29182 0.26842 -0.02580 0.28695 -0.21803 0.01848 0.02151 -0.25553 -0.20595 0.06902 0.25324 -0.01839 -0.00925 -0.05297 -0.14538 0.19372 0.05068 0.12022 -0.23182 0.14117 0.25171 0.11128 0.41738 0.39269 -0.04680 -0.25904 -0.11669 -0.32782 0.05088 -0.04497 -0.18640 0.10049 0.20554 -0.10919 -0.02850 -0.04810 -0.12113 -0.03768 -0.01379 0.01749 0.00263 -0.00210 0.00239 -0.00726 -0.00537 -0.00084 -0.00050 0.00003 0.00003 -0.00026 -0.00003 0.00002 0.00052 0.00001 0.00032 -0.00025 -0.03203 -0.00579 -0.00049 -0.00822 -0.24555 0.21752 -0.36594 -0.10133 -0.09635 0.01886 0.09602 0.10786 0.20786 0.15706 -0.07175 0.06139 0.22196 -0.09802 -0.02647 -0.24298 0.22542 -0.22690 -0.25787 0.11591 -0.12379 -0.05186 0.10171 -0.04622 0.00123 0.24751 -0.24154 -0.30654 -0.03470 -0.12907 -0.26862 -0.18727 -0.28566 -0.18159 -0.31275 0.43755 0.07173 -0.18469 -0.11211 0.12102 -0.03183 -0.07782 0.03940 -0.05629 0.01485 -0.03460 -0.00517 0.00382 -0.00382 0.00456 -0.00601 -0.00001 0.00000 -0.00058 0.00001 0.00000 -0.00009 -0.00014 -0.00016 -0.00009 -0.02251 -0.05044 0.02112 0.01881 0.07546 -0.13150 0.10947 0.00939 -0.27309 -0.03000 -0.14537 0.41446 0.04096 0.35557 -0.17156 -0.12220 0.04570 -0.18949 -0.01570 0.14884 -0.17382 -0.02103 0.04345 0.01517 -0.16346 -0.01360 -0.08112 -0.52142 0.11064 0.20084 0.03884 -0.07838 -0.03201 -0.48095 -0.21746 0.21384 0.19717 0.02306 0.18565 -0.20346 -0.17304 -0.02111 0.00825 0.00066 0.01342 0.00555 0.00956 0.01973 0.00568 0.00664 -0.00120 0.00120 -0.00062 0.00123 0.00114 -0.00009 0.00006 -0.00133 0.00030 -0.00048 -0.00139 -0.00026 -0.00073 0.00072 0.01798 0.03564 -0.01205 -0.00611 -0.00177 0.00826 -0.00477 -0.11896 0.14628 0.10199 -0.02772 0.14766 -0.13255 0.01384 0.02218 -0.14002 -0.17886 0.06191 0.24812 -0.14301 0.02963 -0.10832 -0.15540 -0.09499 -0.06036 -0.09920 0.06046 -0.25501 -0.38189 -0.26984 -0.64803 -0.48468 0.01417 0.42838 0.25249 0.46175 -0.10158 0.05906 0.40687 -0.08540 -0.81764 0.32893 0.00608 0.44864 0.64567 -0.12646 -0.03780 0.07469 -0.02203 0.09153 -0.01853 0.04627 0.03798 0.02696 0.01775 -0.00002 0.00036 0.00078 0.00067 -0.00004 -0.00020 0.00060 0.00001 -0.00076 -0.00981 -0.02851 0.00721 0.00385 -0.06059 0.06816 -0.12592 -0.03280 -0.05055 0.00498 0.04966 0.03982 0.13899 0.13154 -0.03569 0.09083 0.12684 -0.08733 -0.02933 -0.34921 0.42612 -0.28692 -0.35778 0.42678 0.18071 0.17161 -0.29187 -0.04332 -0.13237 -0.71631 0.53627 0.85625 -0.02040 0.18128 0.62779 0.68944 0.38231 0.24927 0.99725 -0.87348 -0.72376 0.48344 0.25726 -0.30476 0.44950 0.81768 0.00702 -0.02657 0.06987 0.01541 0.01695 -0.01592 0.04553 -0.07885 0.00312 0.00003 -0.00014 0.00050 0.00001 0.00000 0.00045 0.00034 0.00075 0.00045 -0.00630 -0.00654 0.00643 0.00477 0.01610 -0.04322 0.03175 0.00870 -0.12938 -0.00963 -0.08321 0.23593 0.03622 0.15347 -0.12216 -0.08194 0.04685 -0.11771 -0.04606 0.22563 -0.22871 0.01114 0.11781 -0.10833 -0.07711 0.00105 0.10027 0.67556 -0.08790 -0.16994 -0.12326 0.00252 -0.00937 0.76339 0.31859 -0.44143 -0.45923 0.04074 -0.52712 0.27529 0.71336 0.06225 0.14367 -0.14104 -0.12995 0.00338 -0.02587 -0.06251 -0.03961 -0.02979 0.01810 -0.00555 -0.00105 -0.00441 -0.00558 0.00000 0.00002 0.00002 0.00000 0.58056 -0.00006 0.00013 -0.00006 -0.00024 -0.02919 -0.00687 0.00579 -0.12204 0.03877 0.01113 0.00425 -0.05750 0.00339 -0.02579 -0.01186 -0.00431 0.01540 0.00089 0.00086 0.00178 0.02110 -0.00080 0.00113 -0.02390 0.00387 0.00912 0.03577 0.00845 0.00043 0.00109 -0.00359 0.00337 -0.00335 0.02339 0.02585 -0.01530 -0.01324 0.00502 0.00128 -0.00570 0.00616 -0.00470 0.00954 -0.00322 0.03083 0.00112 -0.02020 -0.04069 0.13457 -0.04797 -0.00207 0.00265 -0.01235 -0.00278 -0.02107 0.16616 -1.53690 -0.77750 0.00030 0.00000 0.00000 0.00000 0.00000 0.45936 -0.00003 0.00012 -0.00006 -0.00022 -0.03868 -0.00917 0.00765 -0.16176 0.05170 0.01460 0.00564 -0.07649 0.00472 -0.03502 -0.01549 -0.00580 0.02131 0.00125 0.00136 0.00244 0.02819 -0.00096 0.00143 -0.03150 0.00467 0.01190 0.04624 0.01118 0.00071 0.00122 -0.00595 0.00490 -0.00522 0.03338 0.03549 -0.02195 -0.01838 0.00650 0.00236 -0.00921 0.00996 -0.00695 0.01486 -0.00451 0.04856 0.00188 -0.03342 -0.06658 0.22331 -0.07972 -0.00252 0.00328 -0.01415 -0.00140 0.02284 -0.18021 1.67118 0.84706 -0.00091 0.00003 0.00009 0.00016 0.00000 0.00830 0.00013 0.00000 0.00008 -0.00004 0.10982 0.02751 -0.02143 0.46078 -0.15251 -0.03696 -0.01566 0.21684 -0.01812 0.11489 0.03732 0.01830 -0.07927 -0.00491 -0.00863 -0.00861 -0.07684 0.00020 -0.00203 0.07410 -0.00010 -0.02422 -0.08625 -0.02349 -0.00457 0.00306 0.04262 -0.02267 0.03109 -0.13741 -0.11856 0.09535 0.06518 -0.01142 -0.02230 0.06438 -0.07013 0.03577 -0.09221 0.01696 -0.31926 -0.01539 0.26670 0.51732 -1.84836 0.68216 0.01581 -0.02281 0.06691 -0.02705 -0.00431 0.03660 -0.37570 -0.20210 -0.00554 -0.00011 -0.00015 -0.00040 0.00016 -0.00587 -0.00098 -0.00006 -0.00033 0.00015 0.09069 0.01619 -0.02120 0.43069 -0.16241 -0.08180 -0.02364 0.33820 0.00311 0.05776 0.10407 0.00914 0.02243 0.00396 0.02518 -0.00437 -0.30320 0.02401 -0.02252 0.40675 -0.13405 -0.18846 -0.82736 -0.32684 -0.02512 -0.07695 -0.44990 -0.02622 -0.05604 -0.26824 -0.37693 0.09425 0.05685 0.03023 -0.02160 0.09492 -0.00314 0.13399 -0.00725 0.12937 0.06407 0.04188 -0.40760 -0.70749 3.06042 -1.03305 -0.01555 0.03859 0.00198 0.10382 0.00069 -0.02774 0.37204 0.20206 0.02017 0.00004 -0.00001 0.00002 -0.00002 -0.00158 0.00033 0.00013 -0.00001 -0.00020 -0.05619 -0.01099 0.00924 -0.18360 -0.02387 -0.01521 -0.00569 0.32218 -0.01452 0.29023 0.11257 0.08000 -0.26016 -0.02623 -0.09607 -0.01344 0.35550 0.02569 0.01900 -0.28521 0.02116 0.05465 0.19220 -0.19891 -0.01600 -0.03628 -0.38160 -0.03777 -0.02457 -0.21240 -0.46853 0.16484 0.23710 -0.30820 0.19462 -0.26644 0.03502 -0.18729 0.04291 -0.09909 0.19657 -0.00957 0.00152 -0.06036 0.05010 -0.04881 -0.01742 0.01368 -0.11145 -0.04770 0.00115 -0.00212 0.01034 0.00677 -0.00808 0.00000 -0.00001 0.00003 -0.00004 0.00007 -0.00001 0.00004 -0.00024 0.00008 0.00223 0.00681 -0.00087 0.00679 -0.00369 -0.03249 0.05061 -0.03968 0.11736 0.12604 -0.03334 0.08197 0.06179 0.11834 -0.07009 0.63270 -0.02588 0.09457 0.27029 -0.00373 -0.20613 0.02700 0.00127 0.06153 -0.06590 -0.15790 -0.06325 0.13336 0.34108 0.14912 0.02744 0.04564 0.28503 0.04502 0.18066 0.50462 -0.16175 -0.42265 0.07731 0.10736 0.03622 -0.10552 -0.00874 -0.08696 -0.02722 -0.00947 -0.01812 0.02585 0.00924 0.00111 0.00152 -0.00414 -0.00114 0.00047 0.00018 0.00000 0.00005 0.00000 -0.00003 -0.00015 0.00001 -0.00020 -0.00008 -0.00015 -0.00513 -0.00034 0.00663 -0.01739 -0.00253 -0.05796 -0.02823 -0.02314 -0.11232 0.07711 0.05483 -0.00095 -0.09365 0.14707 0.62514 0.06440 0.03682 -0.32604 0.08533 0.03536 -0.03625 -0.11160 0.09204 -0.05593 -0.16530 0.07025 -0.02522 0.29671 -0.14177 0.00818 -0.05724 0.11214 0.24637 0.18069 -0.58594 -0.07211 0.23110 -0.20895 0.28503 -0.03315 -0.11558 -0.04797 -0.10823 0.00585 0.00878 0.01545 0.02652 0.02029 -0.00896 -0.00304 -0.00430 -0.00186 0.00140 -0.00034 -0.00050 0.00012 0.00021 0.00020 0.00011 0.00205 0.00188 -0.00127 0.00056 0.00208 -0.01207 -0.00060 0.00227 -0.05258 -0.00393 0.00677 0.00103 0.10394 -0.01671 0.14110 0.02965 0.03796 -0.14638 -0.01172 -0.05256 -0.00659 0.26547 0.01088 0.01377 -0.28389 0.05620 0.10331 0.37374 0.17164 0.00353 0.02996 -0.00951 0.05473 -0.01803 0.44196 0.91085 -0.37340 -0.55679 0.59118 -0.33238 0.44463 -0.11169 0.27800 -0.02630 0.12054 -0.36609 0.01322 0.06753 0.23868 -0.78279 0.49646 -0.00979 0.02571 -0.14280 -0.11658 -0.00404 0.00547 -0.08221 -0.06924 -0.02320 0.00000 0.00008 -0.00031 0.00023 -0.00007 -0.00005 -0.00019 0.00065 -0.00026 -0.00048 0.00349 -0.00176 0.00374 -0.00229 -0.01100 0.00631 -0.01012 0.05994 0.04308 -0.02498 0.04612 0.01386 0.05063 -0.03128 0.30774 -0.01755 0.07300 0.17798 0.01682 -0.21574 0.02026 0.01362 -0.00296 -0.07127 -0.08827 0.06044 -0.12081 -0.34290 -0.16174 -0.08217 -0.19231 -0.40385 0.01208 -0.23180 -1.00637 0.24041 0.69935 -0.11077 -0.16117 -0.14077 0.29869 0.01177 0.39694 0.13533 0.00068 0.04100 -0.04312 -0.01045 0.00354 -0.01116 0.02999 0.00727 0.00008 0.00065 0.00002 -0.00032 0.00006 0.00020 0.00020 0.00023 0.00044 0.00036 0.00065 -0.00201 0.00214 0.00176 -0.00377 -0.00164 -0.01232 -0.01022 -0.00904 -0.03035 0.03954 0.02015 -0.02457 -0.05109 0.06582 0.30484 0.02853 0.03119 -0.22408 0.07026 0.02413 -0.04170 -0.13217 0.10838 0.05205 -0.07470 0.04801 0.02189 -0.28904 0.14261 -0.00036 0.07728 -0.09210 -0.45898 -0.16518 0.94952 0.09494 -0.50301 0.28230 -0.54574 -0.03633 0.34222 0.19657 0.44877 -0.01212 -0.09314 -0.00820 -0.05303 -0.03828 -0.03018 -0.01485 0.02816 0.01254 -0.01008 -0.00364 -0.00298 0.00000 0.00017 0.00008 0.00019 -0.00008 0.00002 0.00002 -0.00026 -0.00021 0.06452 -0.08108 -0.08402 -0.03460 -0.11917 -0.20696 -0.02099 -0.04514 0.06873 -0.09289 0.06917 -0.00389 0.00111 -0.00980 -0.04287 -0.02220 0.06376 -0.12005 0.09467 -0.00162 0.07482 0.14406 0.01537 -0.12237 -0.01688 0.00783 0.05013 0.08409 0.16401 0.17399 -0.01400 0.16199 0.34202 0.01644 -0.00030 -0.18156 -0.60431 0.45900 -0.04758 -0.45938 -0.49759 -0.76935 0.10317 0.15189 0.40161 0.37612 0.00623 0.02583 0.03619 -0.00161 0.00131 0.00442 0.01811 -0.01712 0.00019 0.00009 -0.00027 -0.00033 0.00083 -0.00007 0.00144 0.00050 -0.00112 -0.00121 0.00542 -0.01201 -0.00387 -0.01107 -0.05268 -0.09807 -0.00437 -0.04080 0.03646 -0.04309 0.02927 0.01837 0.01433 0.00277 -0.02263 -0.01017 0.24691 -0.38486 0.47295 0.23434 0.67594 1.23588 -0.33777 -0.47147 0.17593 0.06681 0.23053 0.08586 0.23364 -0.06959 -0.02430 -0.08759 0.35997 -0.35361 -0.15652 0.54844 1.26169 0.29657 -0.41687 1.20000 0.33675 0.50524 0.13152 0.28619 0.07737 -0.28945 0.00763 0.04579 0.12356 -0.08020 0.02155 0.04794 0.01253 0.00387 -0.01676 0.00001 0.00013 0.00012 0.00007 0.00010 0.00010 0.00010 -0.00006 -0.00003 0.06854 -0.02860 0.11590 -0.02512 -0.13807 0.07992 0.18089 -0.05577 -0.05240 -0.02471 0.11585 0.01511 -0.02213 -0.02079 0.00298 -0.00037 0.06533 0.06586 0.11588 0.13323 0.04461 -0.10292 0.00941 -0.09600 -0.09596 0.00897 0.03792 -0.11052 -0.12122 0.14145 -0.10058 0.18871 -0.36836 0.10347 0.33557 -0.03151 0.23329 0.15168 0.70907 0.52094 0.25622 -0.79917 -0.37050 0.05526 -0.07527 0.31424 -0.00921 -0.00186 0.01111 -0.01001 -0.00784 -0.00406 -0.00122 -0.01607 -0.00122 0.00010 0.00088 -0.00030 -0.00017 -0.00008 0.00157 0.00146 0.00084 0.00067 0.00793 -0.00095 0.01755 -0.00361 -0.06121 0.03964 0.07739 -0.03888 -0.00138 -0.01857 0.07166 0.04123 -0.02791 -0.02579 -0.03440 0.01826 0.27700 0.40243 0.42111 0.92916 0.76339 -0.67458 0.57275 -0.43340 -0.30339 0.14301 0.20925 -0.03239 -0.21426 0.16636 0.07919 0.08911 0.07373 -0.02120 0.08541 0.23593 0.32934 -0.74242 -1.62432 -0.96201 0.11302 -0.02008 -0.19091 0.22220 0.01093 -0.22042 -0.09168 -0.10064 -0.00797 -0.09194 -0.05347 0.00948 0.00373 0.00391 -0.01844 0.00001 0.00003 0.00012 0.00000 0.00015 0.00016 0.00003 0.00016 -0.00002 0.05786 0.11805 -0.03184 -0.03932 -0.12327 0.11068 -0.16652 -0.08142 0.07713 0.08062 0.06285 0.02130 0.02010 -0.02032 0.01423 -0.01397 0.06766 0.02974 -0.10197 0.14237 -0.11310 0.05964 -0.03624 -0.06898 0.00238 -0.09147 -0.02639 0.11800 0.12780 0.12772 -0.19446 -0.32544 0.03006 0.05065 -0.23760 0.34521 0.12567 0.48109 0.11117 -0.64690 0.92093 -0.10442 0.09441 -0.32692 -0.27004 0.25295 0.00660 -0.01900 -0.00660 -0.01455 0.00538 -0.00770 -0.00865 -0.01405 -0.00217 0.00011 -0.00010 0.00087 -0.00037 -0.00007 0.00178 -0.00090 0.00173 -0.00027 0.00106 0.01951 -0.00604 -0.00236 -0.05590 0.05323 -0.08336 -0.03862 0.04071 0.04271 0.03873 0.02812 0.01646 -0.04211 -0.00302 -0.02472 0.27010 -0.02890 -0.57976 0.94209 -0.86376 0.54334 0.48989 -0.39688 -0.12117 -0.36366 0.07713 0.18300 0.14186 0.29184 0.08666 -0.07684 -0.00027 0.00185 -0.12306 -1.12265 -0.28732 -0.51223 -0.97094 1.25013 -0.15643 -0.21855 -0.22216 -0.23585 -0.14482 -0.23233 0.09638 -0.08656 -0.06879 -0.10571 0.01275 -0.05107 -0.00383 0.00114 -0.02112 1 P 1S 2S 3S 4S 5S 6S 7PX 7PY 7PZ 8PX 8PY 8PZ 9PX 9PY 9PZ 10PX 10PY 10PZ 2 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 3 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 4 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 5 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 6 H 1S 2S 7 H 1S 2S 8 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 1 P 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 H 1S|2S|7 H 1S|2S|8 H 1S|2S 0.74225 1.22735 0.95304 1.02948 1.05370 0.18591 1.83211 1.82823 1.82847 0.16421 0.16614 0.16618 0.59122 0.53454 0.53539 0.15927 0.28683 0.31833 1.13237 0.85950 0.93967 0.95143 1.08852 1.21095 1.14168 0.35988 0.48844 0.49265 1.13235 0.85955 0.93624 0.94620 1.19752 1.21905 1.02790 0.52576 0.53614 0.32335 1.13239 0.85949 0.94038 0.94802 1.17464 1.00310 1.25437 0.49352 0.32509 0.53904 1.13277 0.85899 0.97403 0.99807 0.91957 1.20675 1.17587 0.31972 0.50044 0.49429 0.46448 0.12232 0.46559 0.12592 0.46740 0.13193 Mulliken charges: 1 1 2 3 4 5 6 7 8 P O O O O H H H 1.397351 -0.665105 -0.704063 -0.670050 -0.580497 0.413208 0.408487 0.400670 0.00000 -1.04575778e+00 6.48604810e-01 3.60408458e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.6581 1.6486 0.9161 3.2592 -41.1658 -33.4450 -32.6161 4.3382 0.4571 -1.4278 -5.4235 2.2973 3.1262 4.3382 0.4571 -1.4278 1.0128 12.8021 30.7254 7.5429 -6.0679 -0.9356 -1.7283 4.8259 -4.7506 -5.6444 -201.6583 -144.4390 -141.5190 6.6934 10.4975 7.7243 -15.5201 -11.3053 -9.5990 -62.3202 -48.5393 -55.2673 8.7830 7.3134 2.4996 0 -643.5333491 5.228E-9 1.689E-4 -4.0322131,1.7079663,2.3242468,3.2253697,0.3398296,-1.061557 C01 [X(H3O4P1)] -1.0457578 0.6486048 0.3604085 @ -0.000215552 -0.000237411 0.000360829 0.000002875 -0.000012138 -0.000218984 0.000258434 0.000004048 -0.000116327 -0.000367038 0.000227309 -0.000124553 0.000094419 0.000024566 -0.000058272 -0.000038765 -0.000045537 0.000123404 -0.000026867 0.000011068 -0.000015097 0.000292493 0.000028094 0.000049000 94.97136099999999 AuxInfo=1/0/N:2,3,4,5,1/E:(1,2,3)/CRV:4.1,5.4/rA:8P4OOOO1HHH/rB:s1;s1;s1;s1;s2;s3;s4;/rC:;;;;;;;; Gaussian 09 GINC-KIMIK2072 CBGUSER 000071181 EM64L-G09RevD.01 8-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 18 C1[X(H3O4P)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 94.97136099999999 0 1 AuxInfo=1/0/N:2,3,4,5,1/E:(1,2,3)/CRV:4.1,5.4/rA:8P4OOOO1HHH/rB:s1;s1;s1;s1;s2;s3;s4;/rC:;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-31908.inp" -scrdir="/scratch/" chk=000071181-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 000071181 1 2 3 4 5 6 7 8 31 16 16 16 16 1 1 1 30.9737634 15.9949146 15.9949146 15.9949146 15.9949146 1.0078250 1.0078250 1.0078250 1 0 0 0 0 1 1 1 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| 0.000362 0.000174 0.035660 0.014523 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -9.682193e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 261.6441479107 64 144 64 25 25 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 8 8 8 1.00e+00 60 F 0 0 0 0 0 0 0 0 94.97136099999999 AuxInfo=1/0/N:2,3,4,5,1/E:(1,2,3)/CRV:4.1,5.4/rA:8P4OOOO1HHH/rB:s1;s1;s1;s1;s2;s3;s4;/rC:;;;;;;;; 0.000000 1.702186 0.000000 1.714554 2.561398 0.000000 1.727825 2.764685 2.606748 0.000000 1.578269 2.760519 2.876148 2.789860 0.000000 2.300280 0.991894 2.511179 3.140435 3.585431 0.000000 2.336677 3.494631 0.988743 2.856389 3.239672 3.473623 0.000000 2.325112 3.284017 3.515186 0.990950 2.933087 3.823940 3.731540 0.000000 H3O4P C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 94.97136099999999 AuxInfo=1/0/N:2,3,4,5,1/E:(1,2,3)/CRV:4.1,5.4/rA:8P4OOOO1HHH/rB:s1;s1;s1;s1;s2;s3;s4;/rC:;;;;;;;; 4.1373308 3.9463471 3.6157269 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= 820 NPrTT= 4029 LenC2= 796 LenP2D= 2923. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 64 RedAO= T EigKep= 1.34D-02 NBF= 64 NBsUse= 64 1.00D-06 EigRej= -1.00D+00 NBFU= 64 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= 63 63 63 63 63 MxSgAt= 8 MxSgA2= 8. 1 Closed 1 0 1 -643.138608682134 -643.237742174094 -0.099133491960 -643.146174513268 0.091567660826 -642.782435975087 0.363738538181 -642.782325132668 0.000110842419 -640.263516754071 2.518808378597 -643.103848606998 -2.840331852927 -643.373915382418 -0.270066775421 -643.516100017101 -0.142184634683 -643.529272731882 -0.013172714781 -643.533265036554 -0.003992304672 -643.533330947116 -0.000065910562 -643.533335697812 -0.000004750695 -643.533338537520 -0.000002839709 -643.533338592089 -0.000000054568 -643.533338592314 -0.000000000225 -643.533338592326 -0.000000000012 -643.533338592330 -0.000000000004 -643.533338592 18 6.412611328080e+02 -2.048214578635e+03 5.017759593242e+02 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=3081792. IVT= 31726 IEndB= 31726 NGot= 402653184 MDV= 400457219 LenX= 400457219 LenY= 400452682 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= 2080 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= 8. Will process 9 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111 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= 402653036 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=3050976. 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= 2080 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 27 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 24 vectors produced by pass 0 Test12= 3.61D-15 3.70D-09 XBig12= 5.68D+01 3.15D+00. AX will form 24 AO Fock derivatives at one time. 24 vectors produced by pass 1 Test12= 3.61D-15 3.70D-09 XBig12= 2.53D+01 1.47D+00. 24 vectors produced by pass 2 Test12= 3.61D-15 3.70D-09 XBig12= 8.62D-02 7.21D-02. 24 vectors produced by pass 3 Test12= 3.61D-15 3.70D-09 XBig12= 4.77D-05 1.28D-03. 18 vectors produced by pass 4 Test12= 3.61D-15 3.70D-09 XBig12= 9.31D-09 1.77D-05. 4 vectors produced by pass 5 Test12= 3.61D-15 3.70D-09 XBig12= 9.71D-13 1.65D-07. 1 vectors produced by pass 6 Test12= 3.61D-15 3.70D-09 XBig12= 2.01D-16 3.75D-09. InvSVY: IOpt=1 It= 1 EMax= 5.33D-15 Solved reduced A of dimension 119 with 27 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 35.64 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 39.580 -2.251 35.260 0.833 0.257 32.082 76.131 -13.655 69.609 8.093 -5.499 55.207 (Enter /mnt/data/applications/G09/g09/l716.exe) PT63.100S Thu Jun 8 19:45:43 2017 -76.55050 -18.82122 -18.81895 -18.81585 -18.77204 -6.51881 -4.73532 -4.73515 -4.73453 -1.01726 -0.96203 -0.95872 -0.90653 -0.62545 -0.53052 -0.52316 -0.41888 -0.38186 -0.35284 -0.34907 -0.31978 -0.31615 -0.29706 -0.27018 -0.26210 -0.08272 -0.01446 0.00454 0.03771 0.06118 0.06825 0.09294 0.33819 0.38703 0.38984 0.41993 0.50610 0.52252 0.58434 0.60324 0.61965 0.64980 0.69519 0.72300 0.75836 0.77745 0.80336 0.80551 0.84452 0.93664 0.98917 1.28381 1.30088 1.46719 1.68611 4.53775 4.55898 4.63000 6.02686 41.34431 41.35654 41.43745 41.49837 166.35571 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 P O O O O H H H 1.397519 -0.665143 -0.704111 -0.670088 -0.580525 0.413195 0.408490 0.400663 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 P O O O O 1.397519 -0.251947 -0.295621 -0.269425 -0.580525 0.00000 -3.06725343e-01 1.21393591e+00 -2.76660539e-01 3.95799354e+01 -2.25137647e+00 3.52604611e+01 8.32634768e-01 2.57127402e-01 3.20821990e+01 -14.1243 -0.0026 -0.0024 -0.0023 1.6611 4.2883 171.1842 190.0267 263.3487 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 171.1798 190.0252 263.3432 293.6872 339.3934 340.6887 353.9082 385.3918 646.7305 734.4482 759.4231 978.3150 1007.9554 1019.7694 1127.4661 3584.0908 3599.2720 3625.7529 1.8773 1.6698 1.4619 2.0791 3.9243 3.7584 3.9488 2.7636 13.1091 9.1209 8.6022 1.4418 1.2881 1.2247 3.4824 1.0659 1.0664 1.0667 0.0324 0.0355 0.0597 0.1057 0.2663 0.2570 0.2914 0.2418 3.2305 2.8988 2.9230 0.8130 0.7710 0.7504 2.6082 8.0676 8.1395 8.2619 163.9816 43.7343 38.7299 29.3488 7.5538 61.1826 93.1278 177.9481 43.0440 264.1896 263.3902 91.0503 22.7481 86.0846 160.8920 79.2757 59.9969 70.4928 15 8 8 8 8 1 1 1 0.01 0.02 -0.01 -0.03 0.11 -0.05 -0.03 -0.09 0.03 0.04 -0.08 -0.11 0.01 0.08 0.08 -0.17 -0.11 0.40 -0.06 -0.59 0.60 0.10 -0.13 0.02 -0.01 0.01 0.02 0.08 -0.01 -0.06 0.07 0.02 0.08 -0.09 -0.01 -0.07 -0.06 -0.02 0.06 0.27 0.29 -0.70 0.17 -0.21 0.30 -0.22 -0.07 -0.30 0.03 -0.01 -0.02 0.03 0.02 -0.06 0.06 0.01 -0.02 -0.05 0.06 0.04 -0.06 -0.04 0.08 -0.18 -0.32 0.53 0.06 0.07 -0.09 -0.41 -0.04 -0.61 0.01 0.04 -0.01 -0.01 -0.10 0.13 -0.05 0.06 -0.11 0.06 0.07 0.07 -0.02 -0.05 -0.08 0.05 -0.01 -0.09 -0.06 -0.59 0.63 -0.19 -0.12 -0.35 0.07 0.00 0.14 0.05 0.20 0.03 -0.18 -0.01 -0.11 -0.09 -0.09 -0.07 0.12 -0.13 -0.08 0.14 0.41 0.02 -0.45 0.20 -0.20 -0.32 -0.18 -0.47 -0.07 0.10 0.07 0.22 -0.06 -0.06 -0.06 0.08 0.14 0.05 -0.07 -0.08 -0.08 -0.09 -0.18 -0.13 -0.78 0.33 -0.02 0.12 0.09 0.12 -0.23 0.11 -0.11 -0.06 0.04 -0.04 -0.01 -0.15 -0.01 0.10 0.03 0.09 -0.13 0.17 0.17 0.20 -0.07 -0.04 -0.01 -0.20 0.16 0.02 0.02 -0.36 -0.55 -0.57 0.00 -0.07 0.03 0.04 0.03 -0.07 0.06 0.19 -0.11 -0.18 -0.04 0.05 0.07 -0.04 0.00 -0.07 -0.15 0.22 0.23 -0.32 0.38 0.17 0.36 0.59 -0.07 0.11 -0.08 0.24 0.23 0.28 0.31 -0.22 -0.24 -0.16 -0.39 0.27 -0.24 0.19 -0.14 0.14 -0.19 -0.14 -0.13 -0.09 -0.22 -0.22 -0.03 0.13 -0.17 0.01 0.28 -0.07 -0.04 -0.09 0.34 -0.19 -0.26 0.06 0.25 -0.16 0.01 0.01 -0.04 -0.13 -0.14 -0.02 -0.44 -0.08 -0.05 0.14 -0.53 0.18 0.17 0.27 0.08 -0.25 -0.27 -0.26 0.08 -0.03 -0.02 -0.09 -0.24 0.12 -0.02 -0.03 -0.02 -0.04 0.40 0.15 -0.55 0.12 0.12 -0.04 0.27 0.11 0.01 -0.04 0.02 0.05 -0.05 -0.02 -0.01 0.01 0.01 0.00 0.02 -0.01 -0.10 0.07 -0.06 0.30 0.70 0.59 0.15 -0.04 -0.02 0.01 -0.17 0.06 0.01 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.03 0.03 0.04 -0.05 0.04 0.01 0.03 0.02 0.06 0.01 -0.04 -0.03 -0.93 0.35 0.00 0.04 0.04 -0.02 0.00 0.00 -0.05 -0.05 -0.04 0.00 -0.01 0.00 0.01 -0.01 0.00 -0.04 -0.05 -0.03 0.92 -0.22 -0.30 0.00 0.05 -0.03 0.18 -0.09 0.07 -0.08 0.03 -0.01 -0.04 0.02 0.00 -0.03 0.04 0.00 -0.18 0.15 -0.10 -0.28 -0.61 -0.49 0.02 0.01 0.01 0.01 -0.40 0.16 0.00 0.00 0.00 0.06 -0.02 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.91 0.38 -0.10 0.00 0.01 0.01 -0.08 0.01 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.05 -0.01 -0.03 0.00 0.00 0.00 0.09 -0.04 0.01 0.00 0.00 0.00 -0.87 0.12 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.05 0.04 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.30 -0.71 -0.63 0.00 0.00 0.00 298.150 1.00000 1 2 3 4 5 6 7 8 15 8 8 8 8 1 1 1 30.97376 15.99491 15.99491 15.99491 15.99491 1.00783 1.00783 1.00783 97.97690 436.20906 457.31943 499.13648 0.9438 0.32364 -0.06703 -0.31566 0.94277 0.10746 0.09797 -0.08027 0.99195 asymmetric 1 0.19856 0.18939 0.17353 4.13733 3.94635 3.61573 116162.4 246.29 273.40 378.89 422.55 488.31 490.17 509.19 554.49 930.50 1056.71 1092.64 1407.58 1450.22 1467.22 1622.17 5156.70 5178.54 5216.64 0.044244 0.051041 0.051985 0.014301 -643.489095 -643.482298 -643.481353 -643.519038 32.029 23.181 79.313 0.000 0.000 0.000 0.889 2.981 39.657 0.889 2.981 26.101 30.251 17.219 13.554 1 0.626 1.878 2.422 2 0.633 1.854 2.228 3 0.670 1.740 1.640 4 0.688 1.686 1.453 5 0.719 1.597 1.215 6 0.720 1.594 1.209 7 0.730 1.567 1.149 8 0.754 1.501 1.018 0.264241e-06 -6.577999 -15.146403 0.592588e+14 13.772753 31.712935 0.613687e-19 -19.212053 -44.237388 1 0.117682e+01 0.070711 0.162818 2 0.105322e+01 0.022520 0.051853 3 0.736342e+00 -0.132920 -0.306060 4 0.649831e+00 -0.187200 -0.431043 5 0.547318e+00 -0.261760 -0.602725 6 0.544791e+00 -0.263770 -0.607353 7 0.519993e+00 -0.284002 -0.653940 8 0.467371e+00 -0.330338 -0.760632 0.137625e+02 1.138699 2.621951 1 0.177864e+01 0.250087 0.575847 2 0.166588e+01 0.221644 0.510353 3 0.139006e+01 0.143032 0.329344 4 0.131993e+01 0.120550 0.277576 5 0.124132e+01 0.093884 0.216176 6 0.123946e+01 0.093232 0.214674 7 0.122138e+01 0.086852 0.199984 8 0.118442e+01 0.073507 0.169256 0.100000e+01 0.000000 0.000000 0.381189e+08 7.581141 17.456222 0.112957e+06 5.052913 11.634763 000071181 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.7796 3.0855 -0.7032 3.2593 -33.3687 -40.6999 -33.7844 3.5919 -2.7751 3.5835 2.5823 -4.7489 2.1666 3.5919 -2.7751 3.5835 -6.2772 8.0504 2.9714 -2.4664 5.5781 -17.1204 0.4747 11.0255 7.7208 -1.1991 -166.4839 -190.0436 -144.0068 22.2427 1.7415 -2.3748 12.0641 -10.5464 10.1605 -62.4314 -46.9287 -49.3501 -1.4444 -10.7364 2.3078 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -643.5333386 3.579E-9 1.737E-4 0.0442439 0.0510409 C01 [X(H3O4P1)] -1.0457901 0.6486114 0.3603999 1.883539 -0.0219071 -0.0136383 0.1411931 2.1753071 -0.0825538 0.092046 0.0635389 1.9425206 -0.6397492 -0.1591495 -0.352896 -0.0907939 -0.8320933 -0.140211 -0.2652895 -0.1621621 -0.7389291 -0.8177934 0.0195829 0.3033497 0.0252214 -0.5859164 0.2308006 0.1833166 0.1906029 -0.9052407 -0.5508736 0.2163401 -0.1763579 0.1371556 -1.1375424 0.0497283 -0.1358146 0.0159655 -0.6291862 -0.6640097 0.0442192 0.0163306 -0.0201458 -0.6537837 -0.0031499 0.0090499 0.0182676 -0.5925229 0.2098666 -0.0112333 0.1223232 -0.0455304 0.3987841 -0.0178555 0.075207 -0.0203773 0.3117948 0.3678238 -0.0721819 0.0007812 -0.0717555 0.2970569 -0.0900825 -0.0686326 -0.1369148 0.2714022 0.2111964 -0.0156704 0.1001076 -0.0753446 0.3381877 0.0533237 0.1101172 0.0310795 0.3401612 39.4383144|2.5440613|34.4016465|-1.2442235|0.8484582|33.0826347 0.69082293 0.03354562 0.39014687 0.02295551 0.01906684 0.37547068 -0.08918740 -0.05525546 -0.07244535 0.47028286 -0.03209257 -0.08734446 -0.07610918 0.19496297 0.14336510 -0.02669028 -0.05409112 -0.12125820 0.00270734 0.06699306 0.16115754 -0.09937883 -0.03958467 0.05619344 0.00601135 0.00037711 -0.00265338 0.10184422 -0.02165299 -0.05662004 0.01499328 0.00299830 0.00519937 -0.01263823 0.04493533 0.15497063 0.07299315 0.04506797 -0.13769434 0.01018238 -0.00065884 -0.02645859 -0.07827391 0.13721174 0.53526821 -0.07051689 0.02642945 0.00227589 0.00924227 -0.00668620 -0.00054748 0.00515979 -0.01390376 0.00765776 0.21855866 0.06037522 -0.16964175 0.00986759 0.00050092 -0.00816481 -0.00343929 -0.00089960 -0.01255800 0.00831042 0.12101576 0.41566803 -0.00385380 0.02547978 -0.03955592 0.00050006 -0.00723560 0.00662117 -0.00154686 0.01335466 -0.00155239 -0.12016791 -0.16288389 0.12306817 -0.41873170 0.01062448 -0.03605094 -0.00585970 -0.00205324 -0.00011200 -0.00148107 -0.00061033 0.00180838 -0.00307861 0.00312114 -0.00103655 0.42976840 0.01336046 -0.04689622 0.00091019 -0.00995719 0.00367301 -0.00204034 -0.00579055 0.00658668 0.00132085 0.01779226 0.00132137 0.00230916 -0.01282089 0.03186627 -0.03224853 0.00320372 -0.04763507 -0.01433602 -0.00309482 0.00454663 0.01111567 -0.00007939 0.00623681 -0.00261302 0.00061511 0.00844680 0.03937304 0.00086372 0.02999607 -0.01212969 -0.00115825 0.00727068 -0.39059684 -0.15466044 0.02614098 -0.00038538 0.00177327 0.00378744 0.00015667 0.00305144 0.00115926 0.00301322 -0.00060165 -0.00033724 0.40004220 -0.02278189 -0.00701668 -0.00361429 -0.13440945 -0.05939529 0.00233606 0.00128312 -0.00058522 0.00305534 0.00236045 -0.00085361 -0.00012484 0.00201622 0.00104051 -0.00001459 0.15152920 0.06695811 -0.03312582 -0.02008411 -0.00809058 0.07025302 0.02093516 -0.02164928 0.00184000 0.00087289 0.00217027 0.00065694 0.00039303 -0.00135679 -0.00189553 -0.00163802 -0.00300535 -0.03910081 -0.00173433 0.03113664 -0.00233504 0.00409487 0.02457432 0.00044667 -0.00103438 0.00152941 -0.01391675 -0.01639894 -0.01619183 -0.00097496 0.00083310 -0.00055469 -0.00168580 -0.00069654 -0.00167629 0.00015064 -0.00007522 0.00110499 0.01851835 -0.00935425 0.00159764 0.01872915 -0.00078325 0.00229857 0.00325686 -0.00318258 -0.09617771 -0.19377241 -0.00066240 -0.00165079 -0.00063164 0.00001169 -0.00120851 0.00056764 0.00006738 -0.00027073 0.00096533 0.01325161 0.09600230 -0.00678182 -0.01587712 -0.02079433 0.00346462 0.00206391 -0.00024663 0.01388179 -0.15656031 -0.37934304 -0.00055531 -0.00143134 0.00266925 -0.00165584 0.00028385 0.00190086 0.00079221 0.00029270 0.00082103 -0.00904882 0.17130174 0.39428708 0.00145662 0.02130396 -0.00477356 -0.00033921 0.00118674 -0.00037458 0.00214667 0.00285913 -0.00196338 -0.15854693 -0.18799798 0.12550050 -0.00194474 -0.00128591 0.00072239 -0.00025082 0.00007757 0.00026721 -0.00020310 0.00065179 -0.00009682 0.15768151 -0.02139962 -0.02422535 0.01615641 0.00194317 0.00036851 -0.00037701 0.00286184 -0.00081570 -0.00053507 -0.14634558 -0.22412044 0.12973238 -0.00028908 0.00361689 -0.00206139 -0.00000095 0.00012291 0.00029006 0.00002551 -0.00059076 -0.00007342 0.16320471 0.24564393 0.00675159 -0.00276595 -0.00044222 -0.00032605 -0.00289369 -0.00271263 -0.00055674 0.00284536 0.00137308 0.11329313 0.14856837 -0.09834029 -0.00043056 -0.00200941 -0.00048674 0.00028747 -0.00019605 -0.00002594 0.00026292 -0.00041667 0.00070579 -0.11928176 -0.14313196 0.09992896 0.00020488 0.00028228 -0.00034305 -0.00000748 0.00003836 0.00023879 -0.00026716 0.00001881 0.00014166 0.00036162 -0.00024617 0.00011556 -0.00008826 -0.00004554 0.00003239 0.00004653 -0.00000071 -0.00015927 0.00004390 -0.00002343 0.00001171 -0.00029403 -0.00002360 -0.00003778 -0.000204877 -0.000282283 0.000343054 0.000007485 -0.000038364 -0.000238785 0.000267161 -0.000018810 -0.000141657 -0.000361617 0.000246169 -0.000115557 0.000088256 0.000045543 -0.000032391 -0.000046532 0.000000712 0.000159271 -0.000043904 0.000023434 -0.000011711 0.000294029 0.000023600 0.000037777 94.97136099999999 AuxInfo=1/0/N:2,3,4,5,1/E:(1,2,3)/CRV:4.1,5.4/rA:8P4OOOO1HHH/rB:s1;s1;s1;s1;s2;s3;s4;/rC:;;;;;;;;