Gaussian 16 GINC-DOBBY STEFANO Title Card Required ES64L-G16RevC.02 19-Sep-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 71 71 (6D, 7F) 6-31+G(d,p) UwB97XD 6-31+G(d,p) Force #p uwb97xd/6-31+g(d,p) force scrf=(CPCM,solvent=chloroform) nosymm scf=qc Guess=mix 442.3618999999997 2 1 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;15;17;20;23;25;28;32;33;34;35;36;37;43;45;47;48;49;50;52;54;58;59;60;63;13;30;70;16;9;10;11;12;14;18;19;21;22;24;26;27;29;31;38;39;40;41;42;44;46;51;53;55;56;57;61;62;64;65;66;67;68;69;71/rA:71nC0C0C0C0C0C0C0C0H0H0H0H0N0H0C0O0C0H0H0C0H0H0C0H0C0H0H0C0H0N0H0C0C0C0C0C0C0H0H0H0H0H0C0H0C0H0C0C0C0C0H0C0H0C0H0H0H0C0C0C0H0H0C0H0H0H0H0H0H0N0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6718,-2.1282,-.6123;-.4502,-1.9033,-1.4668;-.606,-.6328,-2.0702;.3388,.3389,-1.835;1.4509,.081,-1.0003;1.6352,-1.1421,-.38;-.5747,-4.1047,-.5925;-1.2223,-3.0907,-1.4919;-1.4468,-.3873,-2.709;.2314,1.3153,-2.2926;2.1797,.8673,-.8382;2.4833,-1.3363,.2608;.6076,-3.4054,-.1046;-.2654,-4.979,-1.1705;1.4637,-4.0187,.8087;2.4783,-3.4794,1.2046;.9615,-5.3745,1.2369;1.1101,-6.0763,.4071;1.5817,-5.7138,2.0658;-.5221,-5.3183,1.6457;-.5938,-4.8027,2.6072;-.8798,-6.3366,1.8116;-1.4499,-4.598,.6233;-2.154,-5.3179,.1994;-2.2092,-3.4759,1.2477;-1.7098,-2.7836,1.9138;-3.2383,-3.2745,.9687;-2.4111,-3.3956,-2.151;-2.8827,-4.3563,-1.9665;-3.0487,-2.5966,-2.9972;-2.6627,-1.6851,-3.205;-2.9672,-.1344,-5.1363;-4.1862,-.5429,-4.5829;-4.9479,.3796,-3.8566;-4.4906,1.6813,-3.6793;-3.2654,2.0749,-4.217;-2.5051,1.167,-4.9482;-2.3746,-.8345,-5.7191;-5.9011,.0978,-3.4202;-5.0919,2.3875,-3.1178;-2.9109,3.0901,-4.0724;-1.5566,1.4677,-5.3802;-4.5992,-1.9901,-4.7573;-3.9736,-2.435,-5.5368;-4.4089,-2.8497,-3.4624;-4.4576,-3.9031,-3.7512;-5.4337,-2.6147,-2.3617;-6.5604,-3.4392,-2.2988;-5.265,-1.6157,-1.397;-7.5305,-3.2402,-1.3185;-6.6709,-4.2668,-2.9949;-6.2297,-1.4233,-.4124;-4.3797,-.9885,-1.4017;-7.3689,-2.227,-.3774;-8.3991,-3.8887,-1.2816;-6.0883,-.6464,.331;-8.1181,-2.0743,.3919;-6.3307,-1.1514,-6.4034;-6.3776,-3.5169,-5.7748;-7.3255,-1.9038,-7.2674;-5.396,-.9702,-6.9367;-6.6896,-.215,-5.9819;-6.7769,-3.3285,-7.2344;-7.2146,-3.8659,-5.1709;-5.5281,-4.1828,-5.6348;-8.3308,-1.8567,-6.8377;-7.3626,-1.4814,-8.2721;-7.5066,-4.0811,-7.5355;-5.9033,-3.4177,-7.8861;-6.0111,-2.1176,-5.2668;-6.6405,-1.9045,-4.4865; g16 Output=Job32_A.log chk=S0.chk mem=120GB nprocshared=16 #p uwb97xd/6-31+g(d,p) force scrf=(CPCM,solvent=chloroform) nosymm scf 1/10=7,30=1,38=1/1,3 2/12=2,15=1,17=6,18=5,40=1/2 3/5=1,6=6,7=111,11=2,25=1,30=1,70=2101,71=1,72=7,74=-58,116=2/1,2,3 4/13=-1/1 5/5=2,8=3,38=5,53=7/8 6/7=2,8=2,9=2,10=2,28=1/1 7/29=1,30=1/1,2,3,16 1/10=7,30=1/3 99//99 Title Card Required 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 12 12 12 12 12 12 12 12 1 1 1 1 14 1 12 16 12 1 1 12 1 1 12 1 12 1 1 12 1 14 1 12 12 12 12 12 12 1 1 1 1 1 12 1 12 1 12 12 12 12 1 12 1 12 1 1 1 12 12 12 1 1 12 1 1 1 1 1 1 14 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 1.0078250 12.0000000 15.9949146 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 14.0030740 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 1.0078250 0 0 0 0 0 0 0 0 1 1 1 1 2 1 0 0 0 1 1 0 1 1 0 1 0 1 1 0 1 2 1 0 0 0 0 0 0 1 1 1 1 1 0 1 0 1 0 0 0 0 1 0 1 0 1 1 1 0 0 0 1 1 0 1 1 1 1 1 1 2 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /opt/share/sw/Gaussian16/g16/l101.exe) Berny optimization. 0.10000e-02 0.10000e-05 F 71 1.00e+00 60 T IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 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. NBasis= 859 RedAO= T EigKep= 1.07D-06 NBF= 859 NBsUse= 854 1.00D-06 EigRej= 5.68D-07 NBFU= 854 Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- first step. 0.00003 0.00006 0.00014 0.00019 0.00024 0.00033 0.00039 0.00046 0.00067 0.00086 0.00120 0.00141 0.00169 0.00226 0.00274 0.00332 0.00565 0.00627 0.00693 0.00756 0.00799 0.00865 0.00911 0.00967 0.01013 0.01117 0.01255 0.01338 0.01376 0.01650 0.01652 0.02027 0.02248 0.02345 0.02520 0.02643 0.02729 0.02847 0.02962 0.03059 0.03533 0.03675 0.03876 0.04043 0.04158 0.04489 0.04707 0.04812 0.04873 0.04958 0.05042 0.05102 0.05206 0.05266 0.05275 0.05367 0.05526 0.05589 0.05658 0.05698 0.05858 0.05890 0.05931 0.06164 0.06284 0.06702 0.06867 0.06868 0.06972 0.07010 0.07034 0.07047 0.07061 0.07151 0.07172 0.07192 0.07265 0.07549 0.07589 0.07828 0.08159 0.08736 0.08952 0.09223 0.09716 0.09757 0.09760 0.10098 0.10262 0.11487 0.12077 0.12219 0.12251 0.12737 0.13004 0.13103 0.13130 0.13185 0.13349 0.13657 0.14139 0.14326 0.15129 0.15580 0.16554 0.16868 0.17229 0.17369 0.17502 0.17772 0.17874 0.18895 0.19220 0.20398 0.20815 0.21989 0.23431 0.24848 0.24972 0.25724 0.28292 0.29050 0.29857 0.30198 0.30238 0.30312 0.31018 0.31384 0.31773 0.32778 0.33799 0.35971 0.36527 0.39730 0.40497 0.41553 0.42789 0.43298 0.43688 0.44090 0.44600 0.45516 0.48920 0.50052 0.50934 0.52851 0.55278 0.56519 0.57511 0.62373 0.64051 0.67681 0.68098 0.68653 0.69611 0.70542 0.75113 0.76000 0.78018 0.79404 0.81131 0.86119 0.87030 0.88091 0.88525 0.90833 0.93144 0.94519 0.95439 0.96867 0.98007 0.99208 1.01476 1.02288 1.03625 1.04437 1.06157 1.06841 1.07675 1.08156 1.09274 1.10729 1.11825 1.13080 1.13807 1.14870 1.15711 1.17558 1.21486 1.23954 1.24607 1.25849 1.30027 1.36543 1.45721 1.47486 1.48043 1.48377 1.55043 1.59397 1.59722 1.59995 1.60225 1.63421 1.74960 1.76523 2.27196 Angle between quadratic step and forces= 86.72 degrees. Linear search not attempted -- first point. |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.005125 0.000757 0.099368 0.019858 0.000450 0.000300 0.001800 0.001200 NO NO NO NO -9.186296e-05 Grimme-D2 -0.0747215964 C-PCM UFF Total charges None On-the-fly selection Chloroform 4.711300 2.090627 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 442.3618999999997 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;15;17;20;23;25;28;32;33;34;35;36;37;43;45;47;48;49;50;52;54;58;59;60;63;13;30;70;16;9;10;11;12;14;18;19;21;22;24;26;27;29;31;38;39;40;41;42;44;46;51;53;55;56;57;61;62;64;65;66;67;68;69;71/rA:71nC0C0C0C0C0C0C0C0H0H0H0H0N0H0C0O0C0H0H0C0H0H0C0H0C0H0H0C0H0N0H0C0C0C0C0C0C0H0H0H0H0H0C0H0C0H0C0C0C0C0H0C0H0C0H0H0H0C0C0C0H0H0C0H0H0H0H0H0H0N0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6718,-2.1282,-.6123;-.4502,-1.9033,-1.4668;-.606,-.6328,-2.0702;.3388,.3389,-1.835;1.4509,.081,-1.0003;1.6352,-1.1421,-.38;-.5747,-4.1047,-.5925;-1.2223,-3.0907,-1.4919;-1.4468,-.3873,-2.709;.2314,1.3153,-2.2926;2.1798,.8673,-.8382;2.4833,-1.3363,.2608;.6076,-3.4054,-.1046;-.2654,-4.979,-1.1705;1.4637,-4.0187,.8087;2.4783,-3.4794,1.2046;.9615,-5.3745,1.2369;1.1101,-6.0763,.4071;1.5817,-5.7138,2.0658;-.5221,-5.3183,1.6457;-.5938,-4.8027,2.6072;-.8798,-6.3366,1.8117;-1.4499,-4.598,.6233;-2.1541,-5.3179,.1994;-2.2092,-3.4759,1.2477;-1.7098,-2.7836,1.9138;-3.2383,-3.2745,.9687;-2.4111,-3.3956,-2.151;-2.8827,-4.3563,-1.9665;-3.0487,-2.5966,-2.9972;-2.6627,-1.6851,-3.205;-2.9672,-.1344,-5.1363;-4.1862,-.5429,-4.5829;-4.9479,.3796,-3.8566;-4.4906,1.6813,-3.6793;-3.2654,2.0749,-4.217;-2.5051,1.167,-4.9482;-2.3746,-.8345,-5.7191;-5.9011,.0978,-3.4202;-5.0919,2.3875,-3.1178;-2.9109,3.0901,-4.0724;-1.5566,1.4677,-5.3802;-4.5992,-1.9901,-4.7573;-3.9736,-2.435,-5.5368;-4.4089,-2.8497,-3.4624;-4.4576,-3.9031,-3.7512;-5.4338,-2.6147,-2.3617;-6.5604,-3.4392,-2.2988;-5.265,-1.6157,-1.397;-7.5305,-3.2402,-1.3185;-6.6709,-4.2668,-2.9949;-6.2297,-1.4233,-.4124;-4.3797,-.9885,-1.4017;-7.3689,-2.227,-.3774;-8.3991,-3.8888,-1.2816;-6.0883,-.6464,.331;-8.1181,-2.0743,.3919;-6.3307,-1.1513,-6.4034;-6.3776,-3.5169,-5.7747;-7.3255,-1.9038,-7.2673;-5.396,-.9702,-6.9367;-6.6896,-.215,-5.9819;-6.7769,-3.3285,-7.2344;-7.2146,-3.8659,-5.1709;-5.5281,-4.1828,-5.6348;-8.3308,-1.8567,-6.8377;-7.3626,-1.4814,-8.2721;-7.5066,-4.0811,-7.5355;-5.9033,-3.4177,-7.8861;-6.0111,-2.1175,-5.2668;-6.6405,-1.9045,-4.4865; 0.1796648 0.0704742 0.0603799 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 846 846 846 846 846 MxSgAt= 71 MxSgA2= 71. 1 -1478.63617050382 -1479.08213161622 -1479.15612532597 -1479.16623173821 -1479.17106863367 -1479.17406627621 -1479.17588435294 -1479.17716170733 -1479.17784130451 -1479.17833820856 -1479.17859289064 -1479.17897401093 -1479.17897685193 -0.445961112408 -0.073993709745 -0.010106412246 -0.004836895458 -0.002997642534 -0.001818076733 -0.001277354392 -0.000679597179 -0.000496904049 -0.000254682079 -0.000381120292 -0.000002841000 -1479.17897685 1.0215 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 C C C C C C C C H H H H N H C O C H H C H H C H C H H C H N H C C C C C C H H H H H C H C H C C C C H C H C H H H C C C H H C H H H H H H N H 13 13 13 13 13 13 13 13 1 1 1 1 14 1 13 17 13 1 1 13 1 1 13 1 13 1 1 13 1 14 1 13 13 13 13 13 13 1 1 1 1 1 13 1 13 1 13 13 13 13 1 13 1 13 1 1 1 13 13 13 1 1 13 1 1 1 1 1 1 14 1 -0.00497 0.00649 0.00001 0.00153 -0.00793 0.00809 0.07125 -0.01050 0.00065 0.00047 0.00204 -0.00060 -0.01378 -0.01437 0.00254 -0.00542 0.00193 0.00035 0.00018 0.02439 -0.00011 -0.00034 -0.04548 0.00491 0.07874 -0.01482 -0.01541 0.00077 0.00281 -0.03759 0.00376 -0.00010 0.00019 -0.00007 -0.00001 0.00001 -0.00005 -0.00004 0.00001 0.00000 -0.00000 0.00001 -0.00086 0.00005 0.00524 -0.00272 -0.01039 -0.00048 0.00056 -0.00042 -0.00001 0.00002 0.00005 -0.00007 -0.00008 -0.00003 -0.00001 0.00002 -0.00016 0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00002 -0.00001 -2.79110 3.64701 0.00378 0.86047 -4.45891 4.54861 40.04810 -5.90158 1.45950 1.05560 4.54838 -1.33327 -2.22619 -32.10501 1.42667 1.64286 1.08623 0.77700 0.39582 13.71108 -0.25045 -0.76259 -25.56421 10.97482 44.25730 -33.11953 -34.43549 0.43308 6.28410 -6.07237 8.39577 -0.05379 0.10574 -0.04123 -0.00507 0.00546 -0.02595 -0.10023 0.01353 0.01011 -0.00372 0.01883 -0.48307 0.10822 2.94426 -6.07329 -5.83896 -0.27099 0.31615 -0.23560 -0.01936 0.00898 0.11158 -0.04171 -0.17987 -0.07000 -0.01122 0.01347 -0.09139 0.00005 -0.00559 -0.00609 -0.00622 0.00467 -0.00483 0.00002 -0.01020 0.00074 0.00077 0.00273 -0.01474 -0.99593 1.30134 0.00135 0.30704 -1.59105 1.62306 14.29016 -2.10583 0.52078 0.37667 1.62297 -0.47574 -0.79436 -11.45586 0.50907 0.58621 0.38760 0.27725 0.14124 4.89245 -0.08937 -0.27211 -9.12194 3.91609 15.79211 -11.81787 -12.28744 0.15454 2.24232 -2.16677 2.99582 -0.01919 0.03773 -0.01471 -0.00181 0.00195 -0.00926 -0.03576 0.00483 0.00361 -0.00133 0.00672 -0.17237 0.03862 1.05059 -2.16710 -2.08349 -0.09670 0.11281 -0.08407 -0.00691 0.00320 0.03982 -0.01488 -0.06418 -0.02498 -0.00400 0.00481 -0.03261 0.00002 -0.00199 -0.00217 -0.00222 0.00167 -0.00172 0.00001 -0.00364 0.00026 0.00027 0.00097 -0.00526 -0.93101 1.21651 0.00126 0.28702 -1.48733 1.51725 13.35861 -1.96856 0.48684 0.35211 1.51717 -0.44473 -0.74258 -10.70908 0.47589 0.54800 0.36233 0.25918 0.13203 4.57352 -0.08354 -0.25437 -8.52730 3.66081 14.76265 -11.04749 -11.48644 0.14446 2.09615 -2.02553 2.80053 -0.01794 0.03527 -0.01375 -0.00169 0.00182 -0.00866 -0.03343 0.00451 0.00337 -0.00124 0.00628 -0.16114 0.03610 0.98210 -2.02583 -1.94767 -0.09039 0.10546 -0.07859 -0.00646 0.00300 0.03722 -0.01391 -0.06000 -0.02335 -0.00374 0.00449 -0.03048 0.00002 -0.00186 -0.00203 -0.00207 0.00156 -0.00161 0.00001 -0.00340 0.00025 0.00026 0.00091 -0.00492 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 0.016635 0.000590 0.005397 0.003185 0.009769 -0.004128 0.011468 -0.007008 -0.001083 0.001630 -0.003401 0.001159 0.018717 -0.000559 0.002871 0.021761 0.007413 0.001933 0.002536 0.005327 0.004436 -0.001019 0.005683 -0.009590 -0.400278 -0.033145 0.065707 0.022190 -0.001560 0.119751 0.011589 0.000823 0.000309 -0.000359 0.000036 0.000098 0.000424 0.000965 -0.000667 -0.000106 0.000071 0.000265 -0.000855 0.000572 -0.009844 -0.003100 -0.009158 -0.001989 -0.001952 -0.000545 -0.001188 0.000286 -0.001003 0.000286 -0.000085 0.000510 0.000484 -0.000265 -0.000607 -0.000175 -0.000036 -0.000246 -0.000160 -0.000621 -0.000449 -0.000211 -0.000089 -0.000142 -0.000044 -0.001062 -0.001108 0.049992 0.017825 0.010659 0.010778 0.045019 -0.017696 -0.029585 0.078823 -0.001633 -0.001838 0.000033 -0.002522 0.064251 -0.003573 -0.001374 0.027127 -0.003400 -0.001597 -0.001241 0.010007 -0.004078 0.005986 0.016370 0.009364 0.015657 0.013236 -0.041059 0.055042 -0.011430 0.120049 -0.023491 -0.001005 -0.000875 -0.000718 -0.000486 -0.000658 -0.000451 0.000047 -0.000308 -0.000321 -0.000420 -0.000348 0.001171 0.002127 0.005040 0.000077 0.009691 -0.000372 0.000922 0.000341 -0.000002 0.000125 -0.000280 0.000032 -0.000064 0.000299 -0.000136 0.000208 0.000431 0.000151 0.000221 0.000089 0.000219 0.000250 0.000392 0.000117 0.000106 0.000106 0.000209 0.000648 0.000550 -0.066627 -0.018414 -0.016057 -0.013963 -0.054788 0.021824 0.018117 -0.071814 0.002716 0.000209 0.003368 0.001363 -0.082968 0.004131 -0.001497 -0.048888 -0.004013 -0.000336 -0.001295 -0.015333 -0.000358 -0.004967 -0.022053 0.000226 0.384620 0.019909 -0.024649 -0.077233 0.012990 -0.239799 0.011902 0.000182 0.000566 0.001076 0.000450 0.000560 0.000027 -0.001012 0.000975 0.000428 0.000348 0.000083 -0.000315 -0.002699 0.004804 0.003023 -0.000533 0.002361 0.001029 0.000204 0.001190 -0.000410 0.001282 -0.000318 0.000150 -0.000810 -0.000347 0.000057 0.000176 0.000024 -0.000185 0.000157 -0.000059 0.000370 0.000057 0.000095 -0.000017 0.000037 -0.000165 0.000414 0.000558 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 0.041111 0.014298 0.006914 0.007500 0.032326 -0.012861 0.013083 0.064840 0.000916 0.002818 -0.008022 -0.001765 0.057176 0.000360 0.001761 0.051434 -0.003707 -0.001480 -0.001594 -0.026107 -0.009068 -0.004360 -0.024529 -0.005854 0.255808 0.056039 -0.013576 0.059262 -0.013297 0.144143 -0.015331 0.000206 0.001509 0.001272 0.000554 0.000303 0.000127 -0.000168 0.000880 0.000348 0.000210 -0.000056 0.001719 0.000238 -0.001283 -0.004306 0.001974 -0.002857 -0.000343 -0.000167 -0.000887 -0.000423 0.001706 -0.000677 -0.000197 -0.000910 -0.000310 0.000211 -0.000117 0.000053 0.000196 0.000257 -0.000053 -0.000255 -0.000487 0.000034 0.000037 -0.000086 -0.000060 0.000401 0.000328 0.085350 0.027352 0.016458 0.016507 0.080813 -0.030423 -0.054210 0.139469 -0.002828 -0.001523 -0.000215 -0.001608 0.119287 -0.007914 -0.006040 0.080500 -0.002542 -0.001733 0.000182 0.006147 0.008145 0.000186 0.019883 -0.001631 -0.326687 0.027557 0.023201 0.105686 0.007209 0.267010 0.009827 -0.000175 -0.000982 -0.000594 -0.000294 -0.000169 -0.000581 -0.000000 0.000004 0.000027 -0.000141 -0.000175 -0.003445 -0.002373 -0.001908 -0.002685 0.014046 0.002208 0.003602 0.001622 0.000543 0.001756 0.003826 0.001573 0.000668 0.001163 0.000615 -0.000453 -0.000768 -0.000259 -0.000481 -0.000304 -0.000368 -0.000307 -0.000955 -0.000169 -0.000185 -0.000206 -0.000329 -0.000793 -0.000607 -0.058093 -0.025680 -0.012082 -0.012047 -0.052105 0.017389 -0.019226 -0.092671 0.000984 0.002541 -0.005449 0.000168 -0.081177 0.003734 -0.000858 -0.075342 0.002059 0.002004 0.000706 -0.005719 -0.003536 -0.000517 0.029940 0.014532 -0.695370 0.025890 -0.037343 -0.090972 0.002721 -0.273596 0.004050 0.001240 0.001519 0.000449 0.000104 0.000190 0.000712 0.001623 -0.000055 -0.000208 0.000062 0.000564 0.001839 0.000504 -0.000498 -0.001806 -0.000947 0.000115 -0.002845 0.000010 -0.000040 -0.000867 -0.004358 -0.000574 0.000061 -0.000817 -0.000132 0.000152 -0.000121 0.000037 0.000258 0.000146 -0.000044 -0.000135 -0.000516 0.000005 0.000029 -0.000076 -0.000090 0.000138 0.000086 -0.5036 0.3413 0.7937 0.676 -0.4165 0.608 0.538 0.8427 -0.021 -0.1458 0.0681 0.0777 -19.559 9.134 10.425 -6.979 3.259 3.72 -6.524 3.047 3.477 1 C 13 -0.5178 0.3943 0.7592 0.8555 0.2313 0.4633 0.007 0.8894 -0.4571 -0.0504 0.0193 0.0311 -6.764 2.586 4.178 -2.413 0.923 1.491 -2.256 0.862 1.394 2 C 13 -0.4526 0.3255 0.8302 0.8135 -0.2306 0.5339 0.3652 0.917 -0.1605 -0.0298 0.0142 0.0155 -3.994 1.911 2.084 -1.425 0.682 0.743 -1.332 0.637 0.695 3 C 13 -0.4901 0.3357 0.8045 0.843 -0.0521 0.5353 0.2216 0.9405 -0.2575 -0.029 0.0132 0.0158 -3.898 1.772 2.126 -1.391 0.632 0.759 -1.3 0.591 0.709 4 C 13 -0.5262 0.329 0.7842 0.7905 0.5292 0.3084 -0.3135 0.7821 -0.5385 -0.1309 0.0629 0.0679 -17.562 8.446 9.116 -6.267 3.014 3.253 -5.858 2.817 3.041 5 C 13 0.6548 0.7411 0.1484 -0.5404 0.5964 -0.5935 -0.5284 0.3085 0.791 -0.0256 -0.0233 0.0489 -3.432 -3.133 6.565 -1.225 -1.118 2.343 -1.145 -1.045 2.19 6 C 13 0.579 0.4572 0.675 -0.4734 0.8626 -0.1783 -0.6638 -0.2163 0.7159 -0.0414 -0.0328 0.0742 -5.556 -4.4 9.956 -1.982 -1.57 3.553 -1.853 -1.468 3.321 7 C 13 -0.5772 0.3488 0.7384 0.8154 0.2955 0.4978 -0.0445 0.8894 -0.455 -0.2246 0.1016 0.123 -30.141 13.638 16.503 -10.755 4.866 5.889 -10.054 4.549 5.505 8 C 13 0.7079 -0.5722 0.4141 0.5392 0.8164 0.2065 -0.4562 0.0772 0.8865 -0.0035 -8.0E-4 0.0043 -1.856 -0.416 2.271 -0.662 -0.148 0.81 -0.619 -0.139 0.758 9 H 1 -0.4302 0.7588 -0.4891 -0.1872 0.455 0.8706 0.8831 0.4661 -0.0537 -0.0051 0.0019 0.0032 -2.707 0.995 1.712 -0.966 0.355 0.611 -0.903 0.332 0.571 10 H 1 0.7104 0.6536 0.261 -0.5671 0.3119 0.7624 -0.4169 0.6896 -0.5922 -0.0109 0.0013 0.0096 -5.795 0.693 5.102 -2.068 0.247 1.82 -1.933 0.231 1.702 11 H 1 0.4004 0.9102 0.1057 0.567 -0.3367 0.7518 0.7199 -0.2411 -0.6509 -0.0033 1.0E-4 0.0032 -1.75 0.04 1.71 -0.624 0.014 0.61 -0.584 0.013 0.57 12 H 1 -0.5188 0.3526 0.7788 0.6563 -0.4195 0.6271 0.5478 0.8365 -0.0138 -0.1992 0.0962 0.103 -7.682 3.709 3.974 -2.741 1.323 1.418 -2.563 1.237 1.325 13 N 14 0.6291 -0.5276 0.5708 0.5361 0.8263 0.173 -0.5629 0.1972 0.8026 -0.008 -0.0026 0.0106 -4.291 -1.364 5.655 -1.531 -0.487 2.018 -1.431 -0.455 1.886 14 H 1 0.5821 -0.0753 0.8097 -0.13 0.9743 0.184 0.8027 0.2124 -0.5573 -0.0058 -0.0018 0.0075 -0.773 -0.238 1.011 -0.276 -0.085 0.361 -0.258 -0.079 0.337 15 C 13 -0.4887 0.4603 0.7411 0.4207 -0.6198 0.6624 0.7643 0.6355 0.1092 -0.1488 0.0727 0.076 10.765 -5.263 -5.502 3.841 -1.878 -1.963 3.591 -1.756 -1.835 16 O 17 -0.0583 -0.6976 0.7141 0.3762 0.6472 0.663 0.9247 -0.3073 -0.2247 -0.0058 -0.0034 0.0093 -0.781 -0.462 1.243 -0.279 -0.165 0.444 -0.26 -0.154 0.415 17 C 13 0.0445 0.8194 -0.5715 0.6413 0.4152 0.6452 0.766 -0.3952 -0.507 -0.0031 -8.0E-4 0.0038 -1.641 -0.41 2.051 -0.585 -0.146 0.732 -0.547 -0.137 0.684 18 H 1 0.2741 0.7718 -0.5738 0.2112 0.5338 0.8188 0.9382 -0.3456 -0.0167 -0.0023 -8.0E-4 0.0031 -1.244 -0.421 1.665 -0.444 -0.15 0.594 -0.415 -0.14 0.555 19 H 1 0.7344 0.6055 -0.3067 0.1241 0.3245 0.9377 -0.6673 0.7267 -0.1632 -0.0188 -0.0165 0.0353 -2.518 -2.214 4.732 -0.898 -0.79 1.688 -0.84 -0.739 1.578 20 C 13 0.6012 0.7674 -0.2229 -0.2798 0.4635 0.8408 0.7485 -0.4431 0.4934 -0.0102 -0.005 0.0152 -5.419 -2.678 8.096 -1.934 -0.955 2.889 -1.807 -0.893 2.701 21 H 1 0.0085 0.0504 0.9987 0.902 0.4308 -0.0294 -0.4317 0.9011 -0.0418 -0.005 -0.0031 0.0081 -2.663 -1.658 4.321 -0.95 -0.592 1.542 -0.888 -0.553 1.441 22 H 1 -0.4532 -0.4818 0.75 0.7612 0.2286 0.6068 -0.4638 0.8459 0.2632 -0.0533 0.0142 0.0391 -7.153 1.901 5.252 -2.552 0.678 1.874 -2.386 0.634 1.752 23 C 13 0.713 0.5083 -0.483 0.6769 -0.3191 0.6634 -0.183 0.7999 0.5715 -0.0127 -0.0084 0.0211 -6.754 -4.497 11.251 -2.41 -1.605 4.015 -2.253 -1.5 3.753 24 H 1 0.708 -0.6602 -0.251 0.6497 0.4694 0.598 -0.277 -0.5864 0.7612 -0.523 -0.5161 1.0392 -70.183 -69.262 139.445 -25.043 -24.714 49.758 -23.411 -23.103 46.514 25 C 13 0.844 -0.5259 -0.1055 -0.2217 -0.5211 0.8242 0.4884 0.6722 0.5564 -0.0715 -0.0039 0.0754 -38.153 -2.066 40.219 -13.614 -0.737 14.351 -12.726 -0.689 13.416 26 H 1 -0.031 0.7721 0.6347 -0.3524 -0.6027 0.7159 0.9353 -0.2015 0.2908 -0.0712 -0.0046 0.0758 -37.994 -2.473 40.468 -13.557 -0.883 14.44 -12.674 -0.825 13.499 27 H 1 -0.4922 0.4023 0.772 0.8217 -0.0782 0.5646 0.2875 0.9122 -0.2921 -0.192 0.0892 0.1028 -25.767 11.966 13.801 -9.194 4.27 4.925 -8.595 3.991 4.604 28 C 13 0.5833 0.7915 -0.1825 0.6738 -0.597 -0.4354 0.4535 -0.131 0.8816 -0.0219 0.0056 0.0163 -11.662 2.968 8.694 -4.161 1.059 3.102 -3.89 0.99 2.9 29 H 1 -0.4236 0.43 0.7973 0.9057 0.1818 0.3831 0.0197 0.8843 -0.4665 -0.5292 0.2616 0.2676 -20.41 10.09 10.32 -7.283 3.6 3.682 -6.808 3.366 3.442 30 N 14 0.3724 0.9118 -0.1733 -0.5122 0.3576 0.7809 0.774 -0.202 0.6001 -0.0305 0.0073 0.0232 -16.285 3.901 12.384 -5.811 1.392 4.419 -5.432 1.301 4.131 31 H 1 -0.1011 0.8411 -0.5314 0.9524 0.2363 0.1928 -0.2877 0.4866 0.8249 -0.0018 8.0E-4 0.001 -0.243 0.113 0.131 -0.087 0.04 0.047 -0.081 0.038 0.044 32 C 13 -0.494 0.7334 -0.467 0.8649 0.4697 -0.1772 -0.0893 0.4914 0.8663 -0.0029 0.0013 0.0015 -0.384 0.178 0.205 -0.137 0.064 0.073 -0.128 0.06 0.068 33 C 13 -0.6477 0.7259 -0.2313 0.6797 0.6878 0.255 -0.3442 -0.0079 0.9389 -0.002 7.0E-4 0.0013 -0.268 0.095 0.173 -0.096 0.034 0.062 -0.089 0.032 0.058 34 C 13 -0.5499 0.8145 -0.185 0.6019 0.54 0.5883 -0.579 -0.2122 0.7872 -9.0E-4 2.0E-4 6.0E-4 -0.119 0.033 0.086 -0.042 0.012 0.031 -0.04 0.011 0.029 35 C 13 -0.3417 0.9241 -0.1709 0.9019 0.3736 0.2166 -0.264 0.0801 0.9612 -8.0E-4 2.0E-4 6.0E-4 -0.108 0.024 0.084 -0.039 0.009 0.03 -0.036 0.008 0.028 36 C 13 -0.2952 0.7318 -0.6143 0.6581 0.6219 0.4245 0.6927 -0.2789 -0.6651 -0.0011 2.0E-4 9.0E-4 -0.148 0.023 0.125 -0.053 0.008 0.045 -0.049 0.008 0.042 37 C 13 -0.0312 -0.588 0.8083 0.9174 0.3042 0.2566 -0.3967 0.7495 0.5299 -0.0022 9.0E-4 0.0013 -1.17 0.485 0.685 -0.417 0.173 0.244 -0.39 0.162 0.228 38 H 1 0.7742 -0.6328 -0.016 0.6321 0.7716 0.0705 -0.0322 -0.0647 0.9974 -0.0014 4.0E-4 0.001 -0.74 0.217 0.522 -0.264 0.078 0.186 -0.247 0.072 0.174 39 H 1 -0.5656 0.8057 0.176 0.8142 0.5115 0.2747 -0.1313 -0.2987 0.9453 -6.0E-4 1.0E-4 5.0E-4 -0.326 0.065 0.261 -0.116 0.023 0.093 -0.109 0.022 0.087 40 H 1 -0.3634 0.9231 -0.1259 0.8398 0.3831 0.3848 -0.4034 -0.0341 0.9144 -5.0E-4 1.0E-4 4.0E-4 -0.272 0.055 0.218 -0.097 0.019 0.078 -0.091 0.018 0.073 41 H 1 -0.0544 0.8179 -0.5728 0.8646 0.3255 0.3828 -0.4995 0.4744 0.7249 -7.0E-4 2.0E-4 6.0E-4 -0.395 0.089 0.306 -0.141 0.032 0.109 -0.132 0.03 0.102 42 H 1 0.6749 -0.3743 0.6359 0.4235 0.9022 0.0816 -0.6043 0.2142 0.7674 -0.0051 0.0021 0.0029 -0.678 0.288 0.391 -0.242 0.103 0.139 -0.226 0.096 0.13 43 C 13 0.4628 -0.0906 0.8818 0.8863 0.0646 -0.4586 -0.0154 0.9938 0.1102 -0.004 0.0018 0.0022 -2.132 0.969 1.163 -0.761 0.346 0.415 -0.711 0.323 0.388 44 H 1 0.9879 0.0873 0.1285 -0.1544 0.6444 0.7489 0.0174 0.7597 -0.6501 -0.0102 0.0048 0.0054 -1.369 0.64 0.73 -0.489 0.228 0.26 -0.457 0.213 0.243 45 C 13 0.7826 0.5435 0.3036 -0.5567 0.8292 -0.0495 -0.2787 -0.1303 0.9515 -0.0071 0.0031 0.0041 -3.805 1.641 2.164 -1.358 0.585 0.772 -1.269 0.547 0.722 46 H 1 0.8027 -0.073 -0.5919 -0.3782 0.7052 -0.5997 0.4612 0.7053 0.5384 -0.0197 0.0094 0.0103 -2.643 1.266 1.377 -0.943 0.452 0.491 -0.882 0.422 0.459 47 C 13 0.7993 0.5414 -0.2608 -0.3566 0.7766 0.5194 0.4837 -0.3222 0.8137 -0.0046 0.001 0.0036 -0.623 0.136 0.487 -0.222 0.049 0.174 -0.208 0.045 0.162 48 C 13 0.7553 -0.2583 -0.6024 0.5155 0.8017 0.3025 0.4048 -0.539 0.7387 -0.0047 -4.0E-4 0.0051 -0.632 -0.05 0.682 -0.225 -0.018 0.243 -0.211 -0.017 0.227 49 C 13 0.7821 0.0628 -0.62 0.0025 0.9946 0.1039 0.6231 -0.0828 0.7777 -0.0018 3.0E-4 0.0015 -0.247 0.046 0.202 -0.088 0.016 0.072 -0.083 0.015 0.067 50 C 13 0.8805 0.4472 -0.1572 -0.3879 0.8704 0.3031 0.2724 -0.2059 0.9399 -0.0017 4.0E-4 0.0014 -0.926 0.202 0.724 -0.33 0.072 0.258 -0.309 0.067 0.241 51 H 1 -0.5804 0.2114 0.7864 0.4506 0.8878 0.0938 0.6783 -0.4088 0.6105 -0.0019 -2.0E-4 0.0021 -0.26 -0.024 0.285 -0.093 -0.009 0.102 -0.087 -0.008 0.095 52 C 13 -0.5764 0.5637 0.5916 0.7449 0.6601 0.0968 0.336 -0.4965 0.8004 -0.0066 0.001 0.0056 -3.52 0.537 2.984 -1.256 0.192 1.065 -1.174 0.179 0.995 53 H 1 -0.6353 0.0078 0.7722 0.3235 0.9107 0.2569 0.7012 -0.413 0.5811 -0.0016 -4.0E-4 0.002 -0.217 -0.05 0.267 -0.077 -0.018 0.095 -0.072 -0.017 0.089 54 C 13 0.7439 0.2869 -0.6035 -0.1525 0.9522 0.2646 0.6506 -0.1048 0.7521 -7.0E-4 -0.0 7.0E-4 -0.375 -0.009 0.384 -0.134 -0.003 0.137 -0.125 -0.003 0.128 55 H 1 -0.4221 0.186 0.8873 0.5917 0.798 0.1142 0.6868 -0.5732 0.4469 -0.0015 -5.0E-4 0.002 -0.819 -0.263 1.081 -0.292 -0.094 0.386 -0.273 -0.088 0.361 56 H 1 -0.4803 -0.0609 0.875 0.2389 0.9508 0.1972 0.844 -0.3038 0.4421 -7.0E-4 -2.0E-4 9.0E-4 -0.36 -0.129 0.489 -0.129 -0.046 0.175 -0.12 -0.043 0.163 57 H 1 0.7824 -0.286 0.5532 0.2487 0.9579 0.1435 -0.571 0.0253 0.8206 -7.0E-4 3.0E-4 4.0E-4 -0.089 0.038 0.051 -0.032 0.014 0.018 -0.03 0.013 0.017 58 C 13 0.8466 0.106 0.5216 -0.1921 0.9748 0.1137 -0.4964 -0.1965 0.8456 -0.0011 4.0E-4 7.0E-4 -0.147 0.059 0.088 -0.052 0.021 0.031 -0.049 0.02 0.029 59 C 13 0.8175 -0.126 0.5619 0.1081 0.992 0.0652 -0.5656 0.0075 0.8246 -4.0E-4 2.0E-4 2.0E-4 -0.048 0.021 0.027 -0.017 0.008 0.01 -0.016 0.007 0.009 60 C 13 0.6104 -0.3285 0.7208 0.4687 0.8833 0.0057 -0.6386 0.3344 0.6931 -7.0E-4 3.0E-4 4.0E-4 -0.378 0.174 0.204 -0.135 0.062 0.073 -0.126 0.058 0.068 61 H 1 0.7973 -0.4216 0.432 0.4034 0.9045 0.1381 -0.449 0.0642 0.8912 -5.0E-4 2.0E-4 3.0E-4 -0.292 0.121 0.171 -0.104 0.043 0.061 -0.097 0.04 0.057 62 H 1 0.7501 0.0969 0.6542 -0.047 0.9945 -0.0934 -0.6597 0.0393 0.7505 -5.0E-4 2.0E-4 3.0E-4 -0.065 0.03 0.035 -0.023 0.011 0.013 -0.022 0.01 0.012 63 C 13 0.9242 0.2637 0.2764 -0.3379 0.9017 0.2696 -0.1782 -0.3425 0.9225 -8.0E-4 3.0E-4 5.0E-4 -0.419 0.163 0.256 -0.15 0.058 0.091 -0.14 0.054 0.085 64 H 1 0.7295 0.3563 0.5839 -0.5468 0.8165 0.185 -0.4108 -0.4542 0.7905 -0.0015 6.0E-4 8.0E-4 -0.774 0.321 0.453 -0.276 0.115 0.162 -0.258 0.107 0.151 65 H 1 0.9115 -0.0818 0.403 0.0043 0.9819 0.1894 -0.4112 -0.1709 0.8954 -3.0E-4 1.0E-4 2.0E-4 -0.154 0.063 0.091 -0.055 0.022 0.033 -0.051 0.021 0.03 66 H 1 0.7648 -0.1324 0.6305 0.058 0.9888 0.1373 -0.6416 -0.0685 0.764 -2.0E-4 1.0E-4 1.0E-4 -0.132 0.06 0.072 -0.047 0.021 0.026 -0.044 0.02 0.024 67 H 1 0.8012 0.2654 0.5363 -0.4091 0.8971 0.1671 -0.4368 -0.3533 0.8273 -3.0E-4 1.0E-4 2.0E-4 -0.165 0.07 0.095 -0.059 0.025 0.034 -0.055 0.023 0.032 68 H 1 0.6295 0.1596 0.7605 -0.5768 0.7518 0.3196 0.5207 0.6398 -0.5653 -5.0E-4 2.0E-4 2.0E-4 -0.244 0.116 0.128 -0.087 0.041 0.046 -0.081 0.039 0.043 69 H 1 0.9007 -0.1939 0.3888 -0.0731 0.8144 0.5756 -0.4282 -0.5469 0.7194 -0.0015 7.0E-4 8.0E-4 -0.058 0.027 0.03 -0.021 0.01 0.011 -0.019 0.009 0.01 70 N 14 (Enter /opt/share/sw/Gaussian16/g16/l716.exe) PT33820.900S Thu Sep 19 07:09:26 2024 -10.45479 -10.45392 -10.44897 -10.43245 -10.42468 -10.42276 -10.41781 -10.41294 -10.40063 -10.39276 -10.38648 -10.38513 -10.38003 -10.37862 -10.37667 -10.37643 -10.37302 -10.37255 -10.36982 -10.36903 -10.36885 -10.36884 -10.36800 -10.36789 -10.36665 -10.36490 -10.36411 -10.36295 -10.35756 -10.35690 -10.35523 -1.21994 -1.19323 -1.16290 -1.15199 -1.04225 -1.03294 -1.02828 -1.00427 -0.99124 -0.97635 -0.95602 -0.93858 -0.92581 -0.92346 -0.91546 -0.91069 -0.90745 -0.90391 -0.88700 -0.85814 -0.82998 -0.81691 -0.80535 -0.80361 -0.78551 -0.77588 -0.77042 -0.76459 -0.76288 -0.75849 -0.74937 -0.73247 -0.71749 -0.70250 -0.69524 -0.68406 -0.67928 -0.67019 -0.66484 -0.65091 -0.64161 -0.63854 -0.63445 -0.62677 -0.62410 -0.61383 -0.61049 -0.60936 -0.60438 -0.59413 -0.58890 -0.58798 -0.58623 -0.58294 -0.57905 -0.57534 -0.57329 -0.56872 -0.56577 -0.56333 -0.55806 -0.55210 -0.54799 -0.54237 -0.53401 -0.52777 -0.52344 -0.52299 -0.51714 -0.51213 -0.51104 -0.50752 -0.50397 -0.49663 -0.49154 -0.48919 -0.48888 -0.48619 -0.48312 -0.48235 -0.47974 -0.46731 -0.44442 -0.41684 -0.40324 -0.40192 -0.40166 -0.39085 -0.38770 -0.37076 -0.33992 -0.14837 -0.03572 -0.02352 -0.01668 -0.01297 -0.00920 -0.00121 0.01036 0.02067 0.02414 0.02694 0.03567 0.03906 0.04148 0.04263 0.04318 0.04894 0.05135 0.05351 0.05450 0.05586 0.05711 0.06328 0.06473 0.06623 0.06820 0.07055 0.07329 0.07593 0.07922 0.08360 0.08549 0.08797 0.08919 0.09108 0.09598 0.09793 0.10038 0.10134 0.10216 0.10499 0.10749 0.11057 0.11271 0.11522 0.11755 0.11812 0.12092 0.12277 0.12312 0.12953 0.13081 0.13438 0.13558 0.13724 0.14042 0.14276 0.14505 0.14687 0.14791 0.15136 0.15195 0.15377 0.15404 0.15618 0.15945 0.16028 0.16198 0.16646 0.16739 0.17021 0.17191 0.17289 0.17520 0.17685 0.17909 0.18058 0.18275 0.18631 0.18771 0.18800 0.19319 0.19384 0.19496 0.19687 0.19903 0.19931 0.20344 0.20589 0.20717 0.21117 0.21218 0.21319 0.21534 0.21623 0.21834 0.21940 0.22026 0.22236 0.22309 0.22367 0.22764 0.22909 0.23061 0.23126 0.23359 0.23452 0.23594 0.23985 0.24083 0.24710 0.24762 0.24937 0.25238 0.25390 0.25570 0.25732 0.25852 0.25946 0.26093 0.26320 0.26536 0.26595 0.26789 0.26842 0.26936 0.27162 0.27343 0.27672 0.27733 0.27991 0.28312 0.28503 0.28819 0.29004 0.29165 0.29269 0.29436 0.29656 0.29753 0.30055 0.30147 0.30357 0.30653 0.30763 0.31022 0.31100 0.31244 0.31443 0.31769 0.32194 0.32251 0.32441 0.32757 0.32786 0.33037 0.33163 0.33192 0.33520 0.33736 0.33943 0.33981 0.34243 0.34465 0.34606 0.35144 0.35520 0.35806 0.36233 0.36432 0.36554 0.36939 0.37088 0.37222 0.37444 0.37548 0.37726 0.37954 0.38184 0.38550 0.38850 0.39064 0.39426 0.40172 0.40286 0.40487 0.40958 0.41161 0.41302 0.41366 0.41726 0.42069 0.42358 0.42492 0.42910 0.43357 0.44216 0.44513 0.44639 0.44763 0.45072 0.45651 0.45812 0.46148 0.46725 0.47339 0.47636 0.48081 0.48777 0.48931 0.49205 0.50311 0.51336 0.51646 0.52406 0.52986 0.53448 0.54546 0.55325 0.57020 0.57858 0.61034 0.62028 0.62407 0.64435 0.66199 0.67100 0.67234 0.68668 0.69347 0.69932 0.70395 0.70983 0.71426 0.71939 0.72230 0.72685 0.73127 0.73332 0.73771 0.74332 0.74713 0.75363 0.75619 0.76084 0.76834 0.77245 0.77327 0.77760 0.78085 0.78562 0.78931 0.78974 0.79187 0.79459 0.80113 0.80453 0.80838 0.80936 0.81343 0.81450 0.81498 0.82041 0.82752 0.82893 0.83153 0.83569 0.83695 0.84236 0.85172 0.85409 0.85896 0.85944 0.86483 0.86702 0.87205 0.87615 0.88160 0.88359 0.88857 0.89155 0.90422 0.90708 0.90934 0.91276 0.91648 0.92172 0.92879 0.93230 0.93985 0.94416 0.94921 0.95244 0.95825 0.96257 0.96611 0.97217 0.97582 0.98160 0.98740 0.99025 0.99132 1.00011 1.00128 1.00468 1.01110 1.01416 1.01752 1.02116 1.02463 1.02725 1.03263 1.03505 1.04025 1.04668 1.05019 1.05739 1.05950 1.06790 1.07194 1.07881 1.08704 1.09313 1.09507 1.09971 1.10430 1.11328 1.11878 1.12299 1.12644 1.13287 1.14480 1.14863 1.15189 1.15960 1.16401 1.16572 1.17139 1.17664 1.17780 1.18203 1.18407 1.18636 1.19087 1.19337 1.19875 1.20302 1.21017 1.21939 1.22241 1.22852 1.23342 1.24174 1.24535 1.24877 1.25348 1.26079 1.26975 1.27344 1.27665 1.28014 1.28832 1.29521 1.29877 1.30340 1.30851 1.31383 1.31789 1.33513 1.34210 1.34338 1.35416 1.35571 1.36374 1.36966 1.37318 1.38116 1.38736 1.39089 1.39545 1.40085 1.40859 1.41590 1.42349 1.42576 1.42850 1.43374 1.43453 1.43832 1.44213 1.44278 1.44837 1.45055 1.45518 1.46273 1.46958 1.47356 1.48093 1.48837 1.49386 1.50316 1.50556 1.51353 1.52759 1.53351 1.53810 1.54688 1.54947 1.55978 1.57377 1.57443 1.59202 1.60013 1.60259 1.60948 1.61429 1.62387 1.64950 1.66095 1.66593 1.67272 1.69348 1.69944 1.70826 1.71184 1.72714 1.73290 1.76309 1.77066 1.77646 1.79179 1.79388 1.79796 1.80503 1.80903 1.81282 1.81971 1.82621 1.83435 1.83761 1.84087 1.84473 1.85615 1.86551 1.87268 1.87745 1.87809 1.88890 1.89261 1.89947 1.90496 1.90806 1.91599 1.92940 1.93371 1.94250 1.94349 1.94582 1.94825 1.95096 1.96505 1.97281 1.97707 1.98437 1.99173 1.99275 2.00111 2.00551 2.01201 2.01522 2.01644 2.01846 2.02813 2.03442 2.03702 2.04019 2.04495 2.04681 2.05299 2.05834 2.06162 2.06560 2.07086 2.07438 2.07934 2.08605 2.09029 2.09188 2.10279 2.10609 2.10927 2.11134 2.12095 2.12236 2.12275 2.12995 2.14180 2.14789 2.15508 2.15925 2.16414 2.17713 2.19756 2.20229 2.20324 2.21585 2.21899 2.22642 2.22929 2.23481 2.25047 2.25304 2.26333 2.26574 2.28202 2.28926 2.29383 2.30754 2.31131 2.31932 2.32538 2.32816 2.33274 2.33886 2.34212 2.34853 2.36109 2.36232 2.37997 2.39418 2.40396 2.41034 2.41264 2.41983 2.42114 2.42877 2.42999 2.43228 2.43476 2.43858 2.44217 2.44672 2.44952 2.45617 2.46194 2.46219 2.47382 2.47986 2.48535 2.49328 2.50169 2.50965 2.51452 2.51798 2.51858 2.52144 2.52631 2.52742 2.53506 2.53630 2.54193 2.54875 2.55199 2.56156 2.56843 2.57292 2.57833 2.58073 2.59147 2.59918 2.60229 2.60632 2.61053 2.61223 2.61987 2.62492 2.62757 2.62924 2.63658 2.63868 2.64576 2.64704 2.65111 2.66030 2.66360 2.66655 2.67261 2.67692 2.68133 2.69078 2.69691 2.70063 2.70495 2.71315 2.71907 2.72101 2.72634 2.73551 2.74264 2.74685 2.75987 2.76723 2.76983 2.78179 2.78479 2.78970 2.79858 2.80551 2.80717 2.81556 2.82091 2.82523 2.83647 2.83971 2.84184 2.84523 2.85480 2.86364 2.86856 2.87469 2.88332 2.88945 2.90380 2.91719 2.91811 2.92670 2.93673 2.94295 2.94473 2.96284 2.96611 2.97662 2.98482 3.01369 3.01579 3.01855 3.03619 3.05246 3.06066 3.09533 3.10428 3.11739 3.12142 3.13715 3.15087 3.16281 3.18507 3.21905 3.23978 3.25046 3.25560 3.27310 3.32630 3.32909 3.33530 3.33739 3.34021 3.35015 3.36170 3.37682 3.38046 3.38476 3.38605 3.39725 3.39872 3.40238 3.43008 3.43966 3.44046 3.45124 3.49653 3.50391 3.51152 3.53037 3.53231 3.54010 3.56406 3.57027 3.57774 3.58453 3.59107 3.59495 3.60762 3.60970 3.61455 3.62600 3.64678 3.72960 3.91032 3.94701 3.95157 4.34723 4.39221 4.40569 4.41293 4.41664 4.45227 4.45847 4.46582 4.47702 4.49483 4.50538 4.51557 4.53053 4.53516 4.54803 4.56233 4.56568 4.58124 4.58274 4.62264 4.63163 4.63353 4.64088 4.67006 4.69672 4.73024 4.74116 4.76860 4.79343 4.83102 4.84602 4.91765 4.93968 4.95500 4.97242 5.01059 -19.31923 -14.65033 -14.60112 -14.57633 -10.47509 -10.45655 -10.45395 -10.44877 -10.43395 -10.42313 -10.42277 -10.41781 -10.41537 -10.40097 -10.39275 -10.38675 -10.38543 -10.38142 -10.38018 -10.37666 -10.37643 -10.37326 -10.37256 -10.36981 -10.36904 -10.36885 -10.36820 -10.36800 -10.36789 -10.36665 -10.36491 -10.36411 -10.36295 -10.35750 -10.35471 -10.34580 -1.22211 -1.19374 -1.17096 -1.15545 -1.04357 -1.03562 -1.02895 -1.00729 -0.99246 -0.97554 -0.95672 -0.93871 -0.92501 -0.92352 -0.91550 -0.91199 -0.90991 -0.90482 -0.88571 -0.85644 -0.83173 -0.81515 -0.80541 -0.79734 -0.78218 -0.77599 -0.77146 -0.76474 -0.76296 -0.75905 -0.75027 -0.72874 -0.71775 -0.70075 -0.69551 -0.68612 -0.68046 -0.67225 -0.66614 -0.65113 -0.64291 -0.63925 -0.63491 -0.62761 -0.62553 -0.61503 -0.61090 -0.61059 -0.60440 -0.59557 -0.58928 -0.58848 -0.58696 -0.58264 -0.58066 -0.57630 -0.57420 -0.56995 -0.56593 -0.56487 -0.55936 -0.55328 -0.55082 -0.54491 -0.53842 -0.52801 -0.52347 -0.52095 -0.51943 -0.51522 -0.51208 -0.51040 -0.50403 -0.49817 -0.49171 -0.48976 -0.48940 -0.48679 -0.48483 -0.48227 -0.47669 -0.46674 -0.45323 -0.43652 -0.40425 -0.40232 -0.40187 -0.39105 -0.38887 -0.38373 -0.33517 -0.06034 -0.04369 -0.02371 -0.01850 -0.01699 -0.01233 -0.00134 0.01052 0.02073 0.02404 0.02784 0.03280 0.03687 0.03947 0.04268 0.04343 0.04644 0.05102 0.05211 0.05350 0.05456 0.05723 0.06340 0.06471 0.06595 0.06789 0.07177 0.07286 0.07637 0.08065 0.08355 0.08643 0.08787 0.08968 0.09124 0.09596 0.09864 0.10014 0.10133 0.10223 0.10530 0.11002 0.11085 0.11289 0.11546 0.11747 0.11816 0.12119 0.12326 0.12571 0.12950 0.13074 0.13470 0.13714 0.13764 0.14056 0.14285 0.14554 0.14646 0.14773 0.15090 0.15202 0.15359 0.15412 0.15683 0.15970 0.16065 0.16218 0.16571 0.16846 0.17059 0.17164 0.17289 0.17598 0.17644 0.17952 0.18083 0.18355 0.18634 0.18759 0.18808 0.19310 0.19420 0.19514 0.19655 0.19917 0.19922 0.20314 0.20594 0.20788 0.21046 0.21205 0.21348 0.21551 0.21637 0.21860 0.21927 0.22046 0.22198 0.22354 0.22459 0.22842 0.22905 0.23030 0.23173 0.23414 0.23449 0.23607 0.23999 0.24142 0.24727 0.24762 0.24950 0.25238 0.25443 0.25547 0.25737 0.25899 0.26011 0.26096 0.26375 0.26515 0.26671 0.26779 0.26829 0.26937 0.27179 0.27340 0.27640 0.27702 0.28102 0.28329 0.28516 0.28811 0.29014 0.29150 0.29309 0.29397 0.29623 0.29730 0.30071 0.30126 0.30329 0.30586 0.30936 0.31004 0.31094 0.31268 0.31394 0.31865 0.32152 0.32260 0.32396 0.32782 0.32814 0.33076 0.33105 0.33170 0.33505 0.33820 0.33890 0.33917 0.34232 0.34539 0.34638 0.35259 0.35535 0.35792 0.36211 0.36403 0.36577 0.36949 0.37034 0.37184 0.37419 0.37521 0.37727 0.37933 0.38229 0.38555 0.38877 0.39125 0.39414 0.40149 0.40251 0.40456 0.41006 0.41168 0.41287 0.41383 0.41831 0.42131 0.42361 0.42477 0.42905 0.43357 0.44250 0.44507 0.44633 0.44729 0.45038 0.45607 0.45929 0.46178 0.46698 0.47336 0.47615 0.48042 0.48749 0.48899 0.49200 0.50299 0.51296 0.51555 0.52369 0.52944 0.53451 0.54486 0.55207 0.56921 0.57756 0.61032 0.61962 0.62320 0.64428 0.66171 0.67078 0.67141 0.68682 0.69340 0.70078 0.70371 0.70950 0.71462 0.71791 0.72097 0.72699 0.73182 0.73454 0.73794 0.74275 0.74700 0.75339 0.75676 0.76035 0.76870 0.77222 0.77450 0.77744 0.78097 0.78531 0.78945 0.78960 0.79151 0.79552 0.80058 0.80579 0.80895 0.80931 0.81341 0.81543 0.81623 0.82111 0.82679 0.82879 0.83124 0.83629 0.83734 0.84269 0.85222 0.85472 0.85809 0.86001 0.86602 0.86745 0.87484 0.87623 0.88154 0.88469 0.88641 0.89172 0.90388 0.90770 0.91108 0.91230 0.91660 0.92090 0.92856 0.93308 0.93965 0.94530 0.94904 0.95191 0.95845 0.96373 0.96789 0.97114 0.97746 0.98130 0.98683 0.99009 0.99225 1.00003 1.00073 1.00451 1.01080 1.01434 1.01725 1.02127 1.02384 1.02715 1.03219 1.03508 1.04005 1.04632 1.05007 1.05692 1.05973 1.06755 1.07134 1.07908 1.08622 1.09208 1.09550 1.09983 1.10363 1.11153 1.11937 1.12278 1.12584 1.13257 1.14451 1.14801 1.15242 1.16072 1.16286 1.16534 1.17326 1.17686 1.17779 1.18188 1.18407 1.18645 1.18944 1.19279 1.19835 1.20298 1.20962 1.21953 1.22218 1.22879 1.23246 1.24153 1.24447 1.24804 1.25301 1.26001 1.26934 1.27248 1.27553 1.27834 1.28825 1.29347 1.29640 1.30105 1.30834 1.31340 1.31690 1.33383 1.34168 1.34223 1.35313 1.35566 1.36331 1.36916 1.37254 1.38058 1.38610 1.38948 1.39488 1.39839 1.40725 1.41503 1.42245 1.42458 1.42818 1.43257 1.43436 1.43640 1.44060 1.44212 1.44795 1.45003 1.45468 1.46224 1.46873 1.47367 1.47980 1.48799 1.49400 1.50285 1.50607 1.51383 1.52760 1.53378 1.54168 1.54819 1.55128 1.56276 1.57838 1.58199 1.59245 1.59995 1.60503 1.61258 1.61952 1.62397 1.64823 1.66163 1.66572 1.67359 1.69321 1.69878 1.70771 1.71152 1.72718 1.73205 1.76264 1.77016 1.77751 1.79090 1.79260 1.79751 1.80487 1.80853 1.81201 1.81902 1.82547 1.83398 1.83753 1.84022 1.84445 1.85575 1.86507 1.87275 1.87685 1.87787 1.88827 1.89170 1.89982 1.90563 1.90782 1.91615 1.93144 1.93407 1.94177 1.94364 1.94698 1.94816 1.94917 1.96436 1.97200 1.97539 1.98399 1.99173 1.99311 2.00105 2.00555 2.01155 2.01551 2.01714 2.02201 2.02664 2.03425 2.03723 2.03958 2.04457 2.04678 2.05263 2.05802 2.06166 2.06502 2.07069 2.07922 2.08316 2.08579 2.08900 2.09637 2.10189 2.10528 2.10914 2.11325 2.12119 2.12221 2.12290 2.13479 2.14078 2.14822 2.15447 2.15844 2.16284 2.17613 2.19730 2.20118 2.20309 2.21584 2.21833 2.22608 2.22844 2.23504 2.25295 2.25586 2.26354 2.26409 2.28063 2.28933 2.29360 2.30547 2.30928 2.31854 2.32486 2.32800 2.33249 2.33616 2.34177 2.34778 2.36058 2.36099 2.37945 2.39399 2.40412 2.41082 2.41165 2.41886 2.42142 2.42817 2.42955 2.43214 2.43458 2.43832 2.44213 2.44659 2.44940 2.45598 2.46177 2.46240 2.47420 2.48003 2.48516 2.49366 2.50217 2.51185 2.51425 2.51732 2.52000 2.52132 2.52518 2.52821 2.53510 2.53577 2.54146 2.54884 2.55192 2.56197 2.56828 2.57232 2.57957 2.58033 2.59168 2.59881 2.60236 2.60606 2.60906 2.61192 2.61988 2.62480 2.62813 2.63582 2.63987 2.64249 2.64550 2.64874 2.65068 2.66041 2.66558 2.66609 2.67216 2.67650 2.68227 2.68873 2.69716 2.70059 2.70378 2.71306 2.71837 2.72206 2.72533 2.73626 2.74217 2.74630 2.76031 2.76647 2.76948 2.78126 2.78375 2.78908 2.79915 2.80523 2.80700 2.81535 2.82067 2.82488 2.83613 2.83942 2.84241 2.84478 2.85475 2.86335 2.86845 2.87428 2.88312 2.88904 2.90361 2.91650 2.91767 2.92655 2.93634 2.94251 2.94511 2.96290 2.96562 2.97631 2.98552 3.01311 3.01625 3.01789 3.03565 3.05150 3.05941 3.09455 3.10314 3.11690 3.12088 3.13688 3.15029 3.16181 3.18331 3.21665 3.23965 3.24939 3.25497 3.27217 3.32577 3.32907 3.33500 3.33726 3.34011 3.35009 3.36169 3.37681 3.38050 3.38510 3.38623 3.39723 3.39908 3.40229 3.43643 3.43914 3.44024 3.45079 3.49627 3.50391 3.51049 3.53182 3.53312 3.54008 3.56420 3.57723 3.57849 3.58449 3.59064 3.59518 3.60788 3.60964 3.61396 3.62688 3.64676 3.72725 3.90946 3.94700 3.95150 4.34417 4.39048 4.40626 4.41217 4.41573 4.45123 4.45700 4.46476 4.47690 4.49298 4.50400 4.52168 4.53078 4.53429 4.54733 4.56125 4.56569 4.58013 4.58195 4.62485 4.63078 4.63828 4.64257 4.66665 4.69843 4.73730 4.74106 4.77094 4.79364 4.82909 4.84531 4.91734 4.93958 4.95469 4.96947 5.01090 -1.57707564e+01 -8.88206489e+00 -1.34861119e+01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -40.0853 -22.5760 -34.2783 57.3716 23.9370 -95.2938 -25.8646 97.7890 173.0340 66.9666 56.3441 -62.8867 6.5425 97.7890 173.0340 66.9666 277.7943 830.0769 383.2899 268.8097 -98.3458 -607.5908 -405.9538 45.3860 231.1554 -413.3705 -11954.2647 -7668.4337 -8267.8511 464.6246 -317.8159 -2349.5564 -1026.1008 -1001.3230 618.3423 -3569.8997 121.9542 -2825.4728 2133.0208 -988.7650 1263.5877 0 -1479.1789769 1.021498 0. 0.183686 3.6E-9 7.574E-4 41.8904937,-46.7547062,4.8642125,72.7037301,128.6465521,49.7879983 C01 [X(C32H35N3O1)] -4.4761143 -0.8487518 -4.6468406 0.000315386 -0.002073018 0.000477491 -0.000167207 0.002719311 -0.000102635 -0.000316174 -0.000405708 -0.000390191 0.000046353 -0.000106303 0.000126097 0.000002117 -0.000687387 0.000302902 0.000396246 0.001398027 0.000023960 -0.003025947 0.001896980 0.005124600 -0.001521808 -0.002345917 -0.001023450 0.000309653 -0.000120407 0.000222727 -0.000064147 0.000217192 -0.000042787 0.000169168 0.000175606 -0.000030916 -0.000183364 -0.000045273 -0.000015748 0.000672140 0.000877350 -0.001316908 0.000942327 -0.002481505 -0.001571265 -0.000521155 -0.000639534 0.000232487 0.000363703 0.000351326 0.000021047 -0.000427557 0.000326190 -0.000674990 -0.000040682 0.000021139 0.000090495 0.000192568 -0.000093502 0.000285871 0.000037328 -0.000912499 0.000496750 0.000093532 0.000059345 -0.000012109 0.000175255 0.000161569 0.000046884 0.002156197 0.002582753 -0.002081034 -0.000854875 -0.000892806 -0.000231331 -0.001312818 -0.001998804 -0.001356181 0.001104152 0.001311034 0.001441371 0.000276179 0.000141293 -0.000002986 0.001773081 0.001171254 -0.000308685 -0.000251930 -0.000383263 0.000219119 -0.001249281 -0.001266530 0.000033412 0.000435953 0.000793490 -0.000137645 -0.000397536 -0.000171057 0.000160633 0.000456610 0.000240672 -0.000164262 -0.000216334 0.000098228 0.000125725 0.000268692 -0.000306090 -0.000245061 -0.000221272 0.000555020 0.000317695 0.000246770 -0.000189043 -0.000204167 0.000058450 -0.000015499 -0.000039005 0.000088857 -0.000004726 -0.000045060 -0.000104816 0.000146234 0.000106080 -0.000045491 -0.000225558 -0.000054403 -0.000069659 -0.000004127 0.000037230 -0.000074281 -0.000277367 -0.000056784 -0.000022098 0.000044095 0.000064650 0.000540965 0.000655338 0.000316363 0.000031284 -0.000305082 -0.000085040 0.000372822 0.000375760 0.000146587 -0.000181448 -0.000549611 -0.000425027 -0.000506673 -0.000278163 0.000083063 -0.000235817 0.000122189 0.000293742 0.000039431 0.000249041 0.000202057 0.000219240 -0.000112945 -0.000321320 0.000216578 0.000140328 -0.000024588 0.000054215 -0.000063855 -0.000120254 0.000021094 -0.000006851 -0.000005540 0.000020024 0.000092994 0.000098601 -0.000041264 -0.000009316 0.000034705 0.000050295 0.000090396 0.000022920 -0.000086665 0.000014503 0.000124838 -0.000166661 0.000089928 0.000042014 0.000012581 -0.000068256 -0.000023517 -0.000057728 -0.000036475 0.000039542 -0.000115929 -0.000221085 -0.000148968 0.000086371 0.000042355 -0.000058126 0.000028461 -0.000037816 -0.000012504 0.000146747 -0.000018244 -0.000025382 0.000006297 0.000003035 -0.000046247 0.000133620 0.000110645 0.000055625 -0.000013239 0.000001728 0.000001791 -0.000141800 0.000110159 0.000100181 0.000074913 -0.000032887 -0.000115141 442.3618999999997 AuxInfo=1/0/N:1;2;3;4;5;6;7;8;15;17;20;23;25;28;32;33;34;35;36;37;43;45;47;48;49;50;52;54;58;59;60;63;13;30;70;16;9;10;11;12;14;18;19;21;22;24;26;27;29;31;38;39;40;41;42;44;46;51;53;55;56;57;61;62;64;65;66;67;68;69;71/rA:71nC0C0C0C0C0C0C0C0H0H0H0H0N0H0C0O0C0H0H0C0H0H0C0H0C0H0H0C0H0N0H0C0C0C0C0C0C0H0H0H0H0H0C0H0C0H0C0C0C0C0H0C0H0C0H0H0H0C0C0C0H0H0C0H0H0H0H0H0H0N0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6718,-2.1282,-.6123;-.4502,-1.9033,-1.4668;-.606,-.6328,-2.0702;.3388,.3389,-1.835;1.4509,.081,-1.0003;1.6352,-1.1421,-.38;-.5747,-4.1047,-.5925;-1.2223,-3.0907,-1.4919;-1.4468,-.3873,-2.709;.2314,1.3153,-2.2926;2.1798,.8673,-.8382;2.4833,-1.3363,.2608;.6076,-3.4054,-.1046;-.2654,-4.979,-1.1705;1.4637,-4.0187,.8087;2.4783,-3.4794,1.2046;.9615,-5.3745,1.2369;1.1101,-6.0763,.4071;1.5817,-5.7138,2.0658;-.5221,-5.3183,1.6457;-.5938,-4.8027,2.6072;-.8798,-6.3366,1.8117;-1.4499,-4.598,.6233;-2.1541,-5.3179,.1994;-2.2092,-3.4759,1.2477;-1.7098,-2.7836,1.9138;-3.2383,-3.2745,.9687;-2.4111,-3.3956,-2.151;-2.8827,-4.3563,-1.9665;-3.0487,-2.5966,-2.9972;-2.6627,-1.6851,-3.205;-2.9672,-.1344,-5.1363;-4.1862,-.5429,-4.5829;-4.9479,.3796,-3.8566;-4.4906,1.6813,-3.6793;-3.2654,2.0749,-4.217;-2.5051,1.167,-4.9482;-2.3746,-.8345,-5.7191;-5.9011,.0978,-3.4202;-5.0919,2.3875,-3.1178;-2.9109,3.0902,-4.0724;-1.5566,1.4677,-5.3802;-4.5992,-1.9901,-4.7573;-3.9736,-2.435,-5.5368;-4.4089,-2.8497,-3.4624;-4.4576,-3.9031,-3.7512;-5.4338,-2.6147,-2.3617;-6.5604,-3.4391,-2.2988;-5.265,-1.6157,-1.397;-7.5305,-3.2402,-1.3185;-6.6709,-4.2668,-2.9949;-6.2297,-1.4233,-.4124;-4.3797,-.9885,-1.4017;-7.3689,-2.227,-.3774;-8.3991,-3.8888,-1.2816;-6.0883,-.6464,.331;-8.1181,-2.0743,.3919;-6.3307,-1.1513,-6.4034;-6.3776,-3.5169,-5.7747;-7.3255,-1.9038,-7.2673;-5.396,-.9702,-6.9367;-6.6896,-.215,-5.9819;-6.7769,-3.3285,-7.2344;-7.2146,-3.8659,-5.1709;-5.5281,-4.1828,-5.6348;-8.3308,-1.8567,-6.8377;-7.3626,-1.4814,-8.2721;-7.5066,-4.0811,-7.5355;-5.9033,-3.4177,-7.8861;-6.0111,-2.1175,-5.2668;-6.6405,-1.9045,-4.4865;