Gaussian 16 GINC-NODO01 CECILIA coments ES64L-G16RevC.02 1-Jul-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 43 43 65 66 368 (5D, 7F) def2SVP 123 123 C1[X(C12H26BN4)] C1[X(C12H26BN4)] UwB97XD def2SVP FOpt #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 210.96619999999996 0 2 AuxInfo=1/0/N:15,19,23,27,3,2,4,1,5,12,13,14,6;32,36,37,33/E:(1,2,3,4)(6,7)(8,9)(11,12);(1,2,3)/CRV:5.3,6.3,7.3,8.3,9.3;/rA:43nC3C3C3C3C3NHHHHHBNNCHHHCHHHCHHHCHHHHCNHHCCHHHHHH/rB:s1;s2;s3;s4;s1s5;s3;s1;s2;s4;s5;s6;s12;s12;s13;s15;s15;s15;s13;s19;s19;s19;s14;s23;s23;s23;s14;s27;s27;s27;;s31;s32;s32;s32;s33;s33;s36;s36;s36;s37;s37;s37;/rC:-1.7044,-1.1142,-.7855;-2.7621,-1.9621,-.6254;-3.8076,-1.6678,.2854;-3.6993,-.4505,1.0047;-2.6296,.379,.8314;-1.5869,.0781,-.0565;-4.6557,-2.3382,.4191;-.8844,-1.3284,-1.4696;-2.7802,-2.8798,-1.2169;-4.4789,-.1464,1.7063;-2.5385,1.3306,1.354;-.4241,.9719,-.2089;.1172,1.1797,-1.5182;.1168,1.6002,.9571;-.678,1.1148,-2.7237;-.603,2.0591,-3.2939;-.3472,.3001,-3.3955;-1.7362,.9496,-2.4855;1.5048,1.49,-1.7666;1.9297,.791,-2.5111;1.6493,2.5142,-2.1612;2.0968,1.3871,-.8485;.0252,1.0324,2.2831;1.0217,.995,2.7582;-.6314,1.625,2.9483;-.3675,.0083,2.2432;.7842,2.8804,.9304;.3338,3.5678,1.6698;1.8617,2.8007,1.1743;.6886,3.3483,-.0573;1.2627,-1.0828,-.5288;1.6374,-1.9451,.0654;2.9958,-1.7652,.5194;1.5599,-2.8453,-.5638;.9581,-2.0767,.9214;3.1168,-.6991,1.4822;3.9247,-1.6323,-.5758;2.4773,-.9038,2.3543;4.1559,-.6232,1.8374;2.8194,.297,1.078;4.957,-1.5802,-.1969;3.8552,-2.5076,-1.2401;3.7443,-.7239,-1.1965; /usr/local/CompChem/Gaussian/g16/g16 Output=80_a_TMA.log chk=80_a_TMA.chk Mem=24000MB NProc=12 #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=43,7=101,11=2,24=110,25=1,30=1,71=1,74=-58/1,2,3 4//1 5/5=2,8=3,13=1,38=5/2,8 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=43,7=101,11=2,25=1,30=1,71=1,74=-58/1,2,3 4/5=5,16=3,69=1/1 5/5=2,8=3,13=1,38=5/2,8 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 coments 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 12 12 12 12 12 14 1 1 1 1 1 11 14 14 12 1 1 1 12 1 1 1 12 1 1 1 12 1 1 1 1 12 14 1 1 12 12 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 11.0093053 14.0030740 14.0030740 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 14.0030740 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 2 1 1 1 1 1 3 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 0 2 1 1 0 0 1 1 1 1 1 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 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 1 1 1 2 2 3 3 4 4 5 5 6 8 12 12 13 13 14 14 15 15 15 19 19 19 22 23 23 23 24 27 27 27 31 32 32 32 33 33 36 36 36 37 37 37 2 6 8 3 9 4 7 5 10 6 11 12 31 13 14 15 19 23 27 16 17 18 20 21 22 40 24 25 26 38 28 29 30 32 33 34 35 36 37 38 39 40 41 42 43 1.365 1.4024 1.0892 1.4175 1.092 1.4181 1.0893 1.3646 1.092 1.4022 1.0895 1.4746 2.3569 1.4319 1.4307 1.4456 1.4434 1.4454 1.444 1.1057 1.1066 1.0972 1.106 1.1071 1.0972 2.3285 1.1046 1.1067 1.0975 2.4264 1.1055 1.1076 1.0971 1.1122 1.4436 1.1011 1.1007 1.4416 1.4421 1.1007 1.1007 1.1153 1.1009 1.101 1.1149 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 1 6 6 13 12 12 15 12 12 23 13 13 13 16 16 17 13 13 13 20 20 21 19 14 14 14 24 24 25 23 14 14 14 28 28 29 8 31 31 31 33 33 34 32 32 36 33 33 33 38 38 39 33 33 33 41 41 42 24 22 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 8 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 19 19 19 19 19 19 22 23 23 23 23 23 23 24 27 27 27 27 27 27 31 32 32 32 32 32 32 33 33 33 36 36 36 36 36 36 37 37 37 37 37 37 38 40 6 8 8 3 9 9 4 7 7 5 10 10 6 11 11 5 12 12 31 13 14 14 15 19 19 23 27 27 16 17 18 17 18 18 20 21 22 21 22 22 40 24 25 26 25 26 26 38 28 29 30 29 30 30 32 33 34 35 34 35 35 36 37 37 38 39 40 39 40 40 41 42 43 42 43 43 36 36 122.1441 122.3354 115.5057 121.1903 118.1219 120.6872 116.6056 121.6922 121.6999 121.1443 120.6901 118.1621 122.2003 122.3837 115.3998 116.6988 121.8476 121.4533 114.499 118.7244 118.6931 122.5823 123.232 123.5005 113.2638 123.4471 123.3025 113.2377 110.752 112.0167 110.8702 107.1856 107.8147 108.0206 110.4449 112.6858 110.7648 107.1315 107.2605 108.3339 154.6374 110.5314 112.2482 110.8493 107.1478 107.8718 108.0099 119.7407 110.5256 112.4423 110.76 107.0845 107.5423 108.2878 116.0603 112.8562 107.7523 107.4784 110.3546 110.5512 107.6498 112.4057 112.2558 112.644 110.051 110.226 113.3359 107.7901 107.3542 107.8871 110.2995 110.1411 113.1833 107.7238 107.7375 107.5599 109.5642 143.1886 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 6 6 8 8 2 2 8 8 2 6 1 1 9 9 2 2 7 7 3 3 10 10 4 4 11 11 1 1 5 5 1 6 6 14 14 6 6 13 13 12 12 12 19 19 19 12 12 12 15 15 15 12 12 12 27 27 27 12 12 12 23 23 23 13 20 21 19 14 25 26 23 8 8 8 31 31 34 34 35 35 32 32 32 37 37 37 32 32 32 36 36 36 33 39 40 33 38 39 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 6 6 6 6 8 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 19 19 19 22 23 23 23 24 31 31 31 32 32 32 32 32 32 33 33 33 33 33 33 33 33 33 33 33 33 36 36 36 36 36 36 2 2 2 2 6 6 6 6 8 8 3 3 3 3 4 4 4 4 5 5 5 5 6 6 6 6 12 12 12 12 31 13 13 13 13 14 14 14 14 15 15 15 15 15 15 19 19 19 19 19 19 23 23 23 23 23 23 27 27 27 27 27 27 22 22 22 40 24 24 24 38 32 32 32 33 33 33 33 33 33 36 36 36 36 36 36 37 37 37 37 37 37 38 38 38 40 40 40 3 9 3 9 5 12 5 12 31 31 4 7 4 7 5 10 5 10 6 11 6 11 1 12 1 12 13 14 13 14 32 15 19 15 19 23 27 23 27 16 17 18 16 17 18 20 21 22 20 21 22 24 25 26 24 25 26 28 29 30 28 29 30 40 40 40 36 38 38 38 36 33 34 35 36 37 36 37 36 37 38 39 40 38 39 40 41 42 43 41 42 43 24 24 24 22 22 22 0.5895 -179.1443 179.1292 -0.6046 -1.4064 178.3739 179.9607 -0.259 -130.7621 47.8679 0.5126 179.9594 -179.7605 -0.3137 -0.7596 178.543 179.7937 -0.9037 -0.0858 178.385 -179.4055 -0.9348 1.1545 -178.6267 -177.4159 2.8028 39.6188 -140.5439 -140.6112 39.2261 82.1528 29.5354 -151.2186 -150.2952 28.9508 27.7799 -150.8333 -152.3895 28.9974 123.0808 -117.3129 3.4372 -56.2348 63.3715 -175.8783 127.5467 -112.6805 8.8607 -53.1398 66.633 -171.8258 128.2217 -112.2166 8.6642 -53.0397 66.522 -172.5972 127.0511 -113.3424 7.966 -51.6895 67.917 -170.7747 48.5709 -72.0262 172.6386 41.3527 -85.9603 151.4469 35.3774 90.7631 175.3872 53.2947 -62.4636 66.747 -61.473 -172.6357 59.1442 -53.6587 178.1213 58.6819 177.4387 -61.5345 -173.3026 -54.5458 66.481 -175.358 -56.5813 63.8597 56.5478 175.3245 -64.2345 -126.3585 113.4012 -2.5894 -2.7179 -124.4553 119.6181 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 385 A 368 A 607 385 1298.5662542628 43 1.00e+00 60 F 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. One-electron integral symmetry used in STVInt Berny optimization. local minimum Step number 1 out of a maximum of 231 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- first step. 0.00300 0.00470 0.00731 0.00761 0.00961 0.01088 0.01110 0.01134 0.01251 0.01279 0.01323 0.01357 0.01394 0.01517 0.01579 0.01593 0.01709 0.01742 0.01854 0.02005 0.02103 0.02169 0.02243 0.02281 0.02288 0.02581 0.03108 0.03440 0.04124 0.04944 0.05476 0.05901 0.06190 0.06772 0.07227 0.07265 0.07308 0.07415 0.07452 0.07505 0.07580 0.07621 0.08173 0.08217 0.08975 0.09427 0.11207 0.11490 0.11630 0.11682 0.12829 0.13413 0.13954 0.14353 0.15470 0.15523 0.15887 0.15995 0.15999 0.15999 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.17366 0.18764 0.20495 0.20897 0.22000 0.22092 0.23480 0.23936 0.24322 0.24995 0.24998 0.30165 0.31680 0.32083 0.32461 0.32857 0.32909 0.32925 0.32951 0.32962 0.33024 0.33060 0.33084 0.33513 0.33565 0.33577 0.33580 0.33601 0.33609 0.33958 0.33998 0.34008 0.34146 0.34583 0.34584 0.34828 0.34872 0.34893 0.37737 0.38199 0.38506 0.38822 0.38954 0.39045 0.39293 0.39838 0.40009 0.40369 0.41274 0.43892 0.44414 0.49207 0.51987 Linear search 1 2 0.00008393 0.00000000 0.00000000 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 2.57949 2.65014 2.05831 2.67864 2.06357 2.67981 2.05849 2.57875 2.06356 2.64976 2.05883 2.78652 4.45396 2.70588 2.70367 2.73186 2.72767 2.73148 2.72872 2.08946 2.09118 2.07334 2.09009 2.09212 2.07350 4.40021 2.08739 2.09137 2.07401 4.58525 2.08904 2.09303 2.07317 2.10182 2.72794 2.08071 2.07995 2.72425 2.72525 2.08009 2.08009 2.10768 2.08045 2.08050 2.10692 2.13182 2.13516 2.01596 2.11517 2.06162 2.10639 2.03515 2.12393 2.12406 2.11437 2.10644 2.06232 2.13280 2.13600 2.01411 2.03678 2.12664 2.11976 1.99838 2.07213 2.07159 2.13946 2.15080 2.15549 1.97683 2.15456 2.15204 1.97637 1.93299 1.95506 1.93505 1.87074 1.88172 1.88532 1.92763 1.96674 1.93321 1.86980 1.87205 1.89078 2.69893 1.92914 1.95910 1.93469 1.87008 1.88272 1.88513 2.08987 1.92904 1.96249 1.93313 1.86898 1.87697 1.88998 2.02563 1.96971 1.88063 1.87585 1.92605 1.92948 1.87884 1.96185 1.95923 1.96601 1.92075 1.92381 1.97808 1.88129 1.87368 1.88298 1.92509 1.92232 1.97542 1.88014 1.88037 1.87728 1.91226 2.49911 0.01029 -3.12666 3.12639 -0.01055 -0.02455 3.11321 3.14091 -0.00452 -2.28223 0.83545 0.00895 3.14088 -3.13741 -0.00548 -0.01326 3.11616 3.13799 -0.01577 -0.00150 3.11341 -3.13122 -0.01631 0.02015 -3.11762 -3.09649 0.04892 0.69148 -2.45295 -2.45413 0.68462 1.43384 0.51549 -2.63926 -2.62315 0.50529 0.48485 -2.63254 -2.65970 0.50610 2.14816 -2.04750 0.05999 -0.98148 1.10604 -3.06966 2.22611 -1.96665 0.15465 -0.92746 1.16296 -2.99893 2.23789 -1.95855 0.15122 -0.92572 1.16103 -3.01239 2.21746 -1.97820 0.13903 -0.90215 1.18537 -2.98058 0.84772 -1.25709 3.01311 0.72174 -1.50029 2.64325 0.61745 1.58412 3.06108 0.93017 -1.09020 1.16495 -1.07291 -3.01306 1.03226 -0.93652 3.10880 1.02419 3.09689 -1.07398 -3.02470 -0.95200 1.16031 -3.06057 -0.98753 1.11456 0.98695 3.05999 -1.12110 -2.20537 1.97923 -0.04519 -0.04744 -2.17216 2.08773 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00003 -0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00002 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00002 -0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00002 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00002 -0.00001 0.00000 -0.00003 0.00001 0.00000 0.00002 -0.00001 0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00002 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00003 0.00000 0.00001 -0.00002 0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00003 0.00003 0.00002 -0.00000 -0.00001 -0.00001 0.00002 0.00002 0.00003 0.00004 0.00000 0.00001 -0.00005 -0.00002 -0.00002 0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00001 0.00002 0.00001 0.00002 -0.00003 -0.00004 -0.00004 -0.00005 -0.00001 0.00006 0.00000 0.00007 -0.00004 0.00001 0.00006 -0.00006 -0.00001 -0.00002 0.00001 0.00006 0.00008 0.00010 0.00010 0.00010 0.00006 0.00005 0.00006 -0.00005 -0.00006 -0.00007 -0.00001 -0.00001 -0.00003 0.00008 0.00005 0.00005 0.00005 0.00003 0.00002 0.00007 0.00007 0.00008 0.00010 0.00009 0.00010 0.00016 0.00015 0.00015 -0.00015 -0.00003 -0.00001 -0.00000 -0.00012 -0.00009 -0.00009 -0.00010 0.00010 0.00007 0.00009 0.00007 0.00010 0.00007 0.00000 0.00001 0.00000 0.00001 0.00002 0.00002 -0.00002 -0.00002 0.00002 -0.00003 -0.00003 0.00001 0.00012 0.00010 0.00010 -0.00002 -0.00001 -0.00002 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00003 -0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00002 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00002 -0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00002 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00002 -0.00001 0.00000 -0.00003 0.00001 0.00000 0.00002 -0.00001 0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00002 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00003 0.00000 0.00001 -0.00002 0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00003 0.00003 0.00002 -0.00000 -0.00001 -0.00001 0.00002 0.00002 0.00003 0.00004 0.00000 0.00001 -0.00005 -0.00002 -0.00002 0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00001 0.00002 0.00001 0.00002 -0.00003 -0.00004 -0.00004 -0.00005 -0.00001 0.00006 0.00000 0.00007 -0.00004 0.00001 0.00006 -0.00006 -0.00001 -0.00002 0.00001 0.00006 0.00008 0.00010 0.00010 0.00010 0.00006 0.00005 0.00006 -0.00005 -0.00006 -0.00007 -0.00001 -0.00001 -0.00003 0.00008 0.00005 0.00005 0.00005 0.00003 0.00002 0.00007 0.00007 0.00008 0.00010 0.00009 0.00010 0.00016 0.00015 0.00015 -0.00015 -0.00003 -0.00001 -0.00000 -0.00012 -0.00009 -0.00009 -0.00010 0.00010 0.00007 0.00009 0.00007 0.00010 0.00007 0.00000 0.00001 0.00000 0.00001 0.00002 0.00002 -0.00002 -0.00002 0.00002 -0.00003 -0.00003 0.00001 0.00012 0.00010 0.00010 -0.00002 -0.00001 -0.00002 2.57949 2.65014 2.05831 2.67864 2.06357 2.67981 2.05850 2.57875 2.06356 2.64976 2.05883 2.78653 4.45399 2.70587 2.70367 2.73187 2.72766 2.73147 2.72872 2.08946 2.09118 2.07333 2.09008 2.09212 2.07350 4.40023 2.08740 2.09137 2.07401 4.58525 2.08903 2.09303 2.07317 2.10182 2.72793 2.08071 2.07995 2.72424 2.72525 2.08009 2.08009 2.10768 2.08044 2.08050 2.10692 2.13182 2.13516 2.01595 2.11517 2.06162 2.10639 2.03515 2.12393 2.12406 2.11437 2.10644 2.06232 2.13279 2.13600 2.01411 2.03678 2.12665 2.11974 1.99838 2.07214 2.07157 2.13946 2.15081 2.15550 1.97681 2.15456 2.15203 1.97638 1.93297 1.95506 1.93506 1.87074 1.88172 1.88532 1.92764 1.96673 1.93322 1.86980 1.87206 1.89077 2.69893 1.92916 1.95909 1.93469 1.87005 1.88273 1.88513 2.08989 1.92902 1.96250 1.93312 1.86898 1.87697 1.88998 2.02562 1.96971 1.88063 1.87586 1.92605 1.92948 1.87885 1.96185 1.95923 1.96604 1.92075 1.92382 1.97806 1.88129 1.87369 1.88298 1.92509 1.92234 1.97542 1.88013 1.88034 1.87730 1.91227 2.49911 0.01028 -3.12667 3.12642 -0.01053 -0.02452 3.11325 3.14091 -0.00451 -2.28228 0.83543 0.00893 3.14089 -3.13743 -0.00547 -0.01324 3.11618 3.13798 -0.01578 -0.00149 3.11342 -3.13121 -0.01630 0.02012 -3.11767 -3.09653 0.04887 0.69147 -2.45289 -2.45413 0.68470 1.43380 0.51550 -2.63920 -2.62321 0.50527 0.48483 -2.63253 -2.65964 0.50618 2.14827 -2.04740 0.06010 -0.98142 1.10609 -3.06960 2.22606 -1.96670 0.15458 -0.92747 1.16295 -2.99895 2.23797 -1.95850 0.15127 -0.92566 1.16105 -3.01237 2.21753 -1.97813 0.13911 -0.90206 1.18547 -2.98048 0.84789 -1.25695 3.01326 0.72159 -1.50032 2.64324 0.61745 1.58400 3.06099 0.93008 -1.09029 1.16505 -1.07284 -3.01297 1.03233 -0.93642 3.10888 1.02419 3.09690 -1.07398 -3.02469 -0.95198 1.16033 -3.06059 -0.98755 1.11459 0.98691 3.05996 -1.12109 -2.20525 1.97933 -0.04509 -0.04746 -2.17217 2.08771 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000004 0.000001 0.000374 0.000084 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.304107e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 1 1 1 2 2 3 3 4 4 5 5 6 8 12 12 13 13 14 14 15 15 15 19 19 19 22 23 23 23 24 27 27 27 31 32 32 32 33 33 36 36 36 37 37 37 2 6 8 3 9 4 7 5 10 6 11 12 31 13 14 15 19 23 27 16 17 18 20 21 22 40 24 25 26 38 28 29 30 32 33 34 35 36 37 38 39 40 41 42 43 1.365 1.4024 1.0892 1.4175 1.092 1.4181 1.0893 1.3646 1.092 1.4022 1.0895 1.4746 2.3569 1.4319 1.4307 1.4456 1.4434 1.4454 1.444 1.1057 1.1066 1.0972 1.106 1.1071 1.0972 2.3285 1.1046 1.1067 1.0975 2.4264 1.1055 1.1076 1.0971 1.1122 1.4436 1.1011 1.1007 1.4416 1.4421 1.1007 1.1007 1.1153 1.1009 1.101 1.1149 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 1 6 6 13 12 12 15 12 12 23 13 13 13 16 16 17 13 13 13 20 20 21 19 14 14 14 24 24 25 23 14 14 14 28 28 29 8 31 31 31 33 33 34 32 32 36 33 33 33 38 38 39 33 33 33 41 41 42 24 22 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 8 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 19 19 19 19 19 19 22 23 23 23 23 23 23 24 27 27 27 27 27 27 31 32 32 32 32 32 32 33 33 33 36 36 36 36 36 36 37 37 37 37 37 37 38 40 6 8 8 3 9 9 4 7 7 5 10 10 6 11 11 5 12 12 31 13 14 14 15 19 19 23 27 27 16 17 18 17 18 18 20 21 22 21 22 22 40 24 25 26 25 26 26 38 28 29 30 29 30 30 32 33 34 35 34 35 35 36 37 37 38 39 40 39 40 40 41 42 43 42 43 43 36 36 122.1441 122.3354 115.5057 121.1903 118.1219 120.6872 116.6056 121.6922 121.6999 121.1443 120.6901 118.1621 122.2003 122.3837 115.3998 116.6988 121.8476 121.4533 114.499 118.7244 118.6931 122.5823 123.232 123.5005 113.2638 123.4471 123.3025 113.2377 110.752 112.0167 110.8702 107.1856 107.8147 108.0206 110.4449 112.6858 110.7648 107.1315 107.2605 108.3339 154.6374 110.5314 112.2482 110.8493 107.1478 107.8718 108.0099 119.7407 110.5256 112.4423 110.76 107.0845 107.5423 108.2878 116.0603 112.8562 107.7523 107.4784 110.3546 110.5512 107.6498 112.4057 112.2558 112.644 110.051 110.226 113.3359 107.7901 107.3542 107.8871 110.2995 110.1411 113.1833 107.7238 107.7375 107.5599 109.5642 143.1886 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 6 6 8 8 2 2 8 8 2 6 1 1 9 9 2 2 7 7 3 3 10 10 4 4 11 11 1 1 5 5 1 6 6 14 14 6 6 13 13 12 12 12 19 19 19 12 12 12 15 15 15 12 12 12 27 27 27 12 12 12 23 23 23 13 20 21 19 14 25 26 23 8 8 8 31 31 34 34 35 35 32 32 32 37 37 37 32 32 32 36 36 36 33 39 40 33 38 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 6 6 6 6 8 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 19 19 19 22 23 23 23 24 31 31 31 32 32 32 32 32 32 33 33 33 33 33 33 33 33 33 33 33 33 36 36 36 36 36 2 2 2 2 6 6 6 6 8 8 3 3 3 3 4 4 4 4 5 5 5 5 6 6 6 6 12 12 12 12 31 13 13 13 13 14 14 14 14 15 15 15 15 15 15 19 19 19 19 19 19 23 23 23 23 23 23 27 27 27 27 27 27 22 22 22 40 24 24 24 38 32 32 32 33 33 33 33 33 33 36 36 36 36 36 36 37 37 37 37 37 37 38 38 38 40 40 3 9 3 9 5 12 5 12 31 31 4 7 4 7 5 10 5 10 6 11 6 11 1 12 1 12 13 14 13 14 32 15 19 15 19 23 27 23 27 16 17 18 16 17 18 20 21 22 20 21 22 24 25 26 24 25 26 28 29 30 28 29 30 40 40 40 36 38 38 38 36 33 34 35 36 37 36 37 36 37 38 39 40 38 39 40 41 42 43 41 42 43 24 24 24 22 22 0.5895 -179.1443 179.1292 -0.6046 -1.4064 178.3739 179.9607 -0.259 -130.7621 47.8679 0.5126 179.9594 -179.7605 -0.3137 -0.7596 178.543 179.7937 -0.9037 -0.0858 178.385 -179.4055 -0.9348 1.1545 -178.6267 -177.4159 2.8028 39.6188 -140.5439 -140.6112 39.2261 82.1528 29.5354 -151.2186 -150.2952 28.9508 27.7799 -150.8333 -152.3895 28.9974 123.0808 -117.3129 3.4372 -56.2348 63.3715 -175.8783 127.5467 -112.6805 8.8607 -53.1398 66.633 -171.8258 128.2217 -112.2166 8.6642 -53.0397 66.522 -172.5972 127.0511 -113.3424 7.966 -51.6895 67.917 -170.7747 48.5709 -72.0262 172.6386 41.3527 -85.9603 151.4469 35.3774 90.7631 175.3872 53.2947 -62.4636 66.747 -61.473 -172.6357 59.1442 -53.6587 178.1213 58.6819 177.4387 -61.5345 -173.3026 -54.5458 66.481 -175.358 -56.5813 63.8597 56.5478 175.3245 -64.2345 -126.3585 113.4012 -2.5894 -2.7179 -124.4553 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 Grimme-D2 -0.0388354802 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 0 210.96619999999996 AuxInfo=1/0/N:15,19,23,27,3,2,4,1,5,12,13,14,6;32,36,37,33/E:(1,2,3,4)(6,7)(8,9)(11,12);(1,2,3)/CRV:5.3,6.3,7.3,8.3,9.3;/rA:43nC3C3C3C3C3NHHHHHBNNCHHHCHHHCHHHCHHHHCNHHCCHHHHHH/rB:s1;s2;s3;s4;s1s5;s3;s1;s2;s4;s5;s6;s12;s12;s13;s15;s15;s15;s13;s19;s19;s19;s14;s23;s23;s23;s14;s27;s27;s27;;s31;s32;s32;s32;s33;s33;s36;s36;s36;s37;s37;s37;/rC:-1.7044,-1.1142,-.7855;-2.7621,-1.9621,-.6254;-3.8076,-1.6678,.2854;-3.6993,-.4505,1.0047;-2.6296,.379,.8314;-1.5869,.0781,-.0565;-4.6557,-2.3382,.4191;-.8844,-1.3284,-1.4696;-2.7802,-2.8798,-1.2169;-4.4789,-.1464,1.7063;-2.5385,1.3306,1.354;-.4241,.9719,-.2089;.1172,1.1797,-1.5182;.1168,1.6002,.9571;-.678,1.1148,-2.7237;-.603,2.0592,-3.2939;-.3472,.3001,-3.3955;-1.7362,.9496,-2.4855;1.5048,1.49,-1.7666;1.9297,.791,-2.5111;1.6493,2.5142,-2.1612;2.0968,1.3871,-.8485;.0252,1.0324,2.2831;1.0217,.995,2.7582;-.6314,1.625,2.9483;-.3675,.0083,2.2432;.7842,2.8804,.9304;.3338,3.5678,1.6698;1.8617,2.8007,1.1743;.6886,3.3483,-.0573;1.2627,-1.0828,-.5288;1.6374,-1.9451,.0654;2.9958,-1.7652,.5194;1.5599,-2.8453,-.5638;.9581,-2.0767,.9214;3.1168,-.6991,1.4821;3.9246,-1.6324,-.5758;2.4773,-.9038,2.3543;4.1559,-.6232,1.8374;2.8194,.297,1.0781;4.957,-1.5802,-.1969;3.8552,-2.5076,-1.2401;3.7443,-.7239,-1.1965; 0.000000 1.365007 0.000000 2.424158 1.417474 0.000000 2.761316 2.412604 1.418092 0.000000 2.387443 2.760514 2.423811 1.364615 0.000000 1.402396 2.422179 2.845377 2.422312 1.402191 0.000000 3.414559 2.195039 1.089309 2.195679 3.414338 3.934680 0.000000 1.089210 2.154090 3.426424 3.849257 3.354944 2.113902 4.337029 0.000000 2.112074 1.091993 2.186687 3.417929 3.852021 3.394050 2.547083 2.462699 0.000000 3.852696 3.417738 2.187273 1.091990 2.112159 3.394299 2.547908 4.940039 4.347690 0.000000 3.354084 3.848345 3.426770 2.154460 1.089485 2.112735 4.337787 4.216489 4.939188 2.463930 0.000000 2.514634 3.774650 4.319746 3.771335 2.509634 1.474565 5.409006 2.663160 4.626325 4.621697 2.653655 0.000000 3.019453 4.354101 5.173478 4.856748 3.702258 2.500824 6.237704 2.701136 4.996534 5.768852 3.914644 1.431888 0.000000 3.704254 4.845891 5.150924 4.332480 3.008378 2.499419 6.211063 3.932916 5.761054 4.973213 2.698297 1.430719 2.510712 0.000000 3.127052 4.267680 5.156682 5.047696 4.121768 3.002468 6.133671 2.754005 4.758805 5.971757 4.487235 2.531601 1.445637 3.796785 0.000000 4.192275 5.287004 6.080326 5.862005 4.893679 3.920880 7.038951 3.857815 5.783355 6.699877 5.087167 3.275825 2.108352 4.335818 1.105694 0.000000 3.264132 4.315389 5.421812 5.582318 4.804460 3.568666 6.330494 2.578714 4.558236 6.580191 5.331187 3.257557 2.124584 4.566269 1.106604 1.780500 0.000000 2.674036 3.604211 4.338122 4.242138 3.482207 2.584950 5.269707 2.635768 4.167005 5.127828 3.940862 2.627734 2.103267 3.963384 1.097163 1.780060 1.783127 0.000000 4.247733 5.605829 6.511783 6.207088 5.007730 3.804813 7.575191 3.706675 6.144767 7.109368 5.109912 2.532843 1.443419 3.058896 2.412807 2.664495 2.738456 3.363486 0.000000 4.451303 5.757432 6.839737 6.751837 5.668261 4.347380 7.857791 3.673611 6.110041 7.728816 5.932444 3.297388 2.102869 3.996144 2.636310 2.938607 2.491444 3.669406 1.106025 0.000000 5.128875 6.469647 7.297432 6.886213 5.641300 4.564838 8.364010 4.654402 7.043268 7.719532 5.594175 3.238682 2.131140 3.592680 2.773343 2.561862 3.226767 3.743658 1.107100 1.780546 0.000000 4.550774 5.905557 6.743850 6.356536 5.116391 3.988810 7.815393 4.080053 6.490535 7.219295 5.132214 2.633686 2.100099 2.688066 3.360109 3.704144 3.693513 4.190855 1.097246 1.774097 1.787131 0.000000 4.125012 5.019531 5.096279 4.207733 3.095589 2.997263 6.061842 4.525848 5.951959 4.691422 2.743116 2.532959 3.805273 1.445437 5.056652 5.705428 5.737774 5.084231 4.335740 5.164253 4.958367 3.771499 0.000000 4.943528 5.874603 6.043792 5.239464 4.174274 3.945708 6.986729 5.187069 6.728335 5.715447 3.841801 3.300763 4.374947 2.104608 5.740672 6.356130 6.342373 5.924968 4.577377 5.350859 5.186777 3.783913 1.104602 0.000000 4.753490 5.493516 5.293545 4.182942 3.166512 3.512101 6.188572 5.320164 6.500752 4.414058 2.503081 3.230724 4.550604 2.127304 5.695093 6.257311 6.486933 5.585962 5.177984 6.087626 5.665599 4.681356 1.106707 1.779271 0.000000 3.495776 4.224429 4.298413 3.583981 2.692171 2.603968 5.217439 3.979811 5.112228 4.149182 2.692978 2.635307 3.969317 2.103108 5.098163 5.909406 5.646350 5.012036 4.666859 5.337912 5.454004 4.187203 1.097517 1.780107 1.783375 0.000000 5.009458 6.200575 6.495155 5.585914 4.233394 3.801268 7.555659 5.124291 7.106095 6.120815 3.690762 2.529953 3.054981 1.443978 4.313729 4.521446 5.162560 4.663593 3.118700 4.185850 3.231152 2.667836 2.412745 2.636731 2.766224 3.361436 0.000000 5.666050 6.740386 6.817583 5.731939 4.433266 4.341405 7.832004 5.942444 7.720258 6.079417 3.654453 3.292857 3.989119 2.103932 5.132647 5.271780 6.066251 5.329773 4.182971 5.266578 4.185317 3.769004 2.626793 2.877067 2.518103 3.673012 1.105471 0.000000 5.646643 6.877719 7.273123 6.443867 5.114140 4.562979 8.333952 5.619672 7.715806 7.012246 4.642713 3.237722 3.594526 2.129064 4.948469 5.156512 5.658271 5.455815 3.239514 4.198307 3.354528 2.479012 2.780129 2.544608 3.277902 3.729557 1.107584 1.779950 0.000000 5.115744 6.358500 6.744942 5.900183 4.540639 3.984036 7.818212 5.132307 7.222673 6.482757 4.059148 2.628405 2.676492 2.100395 3.737150 3.715620 4.637746 4.186854 2.653579 3.755161 2.458704 2.540793 3.358752 3.684613 3.707505 4.190885 1.097073 1.776717 1.786865 0.000000 2.978361 4.120881 5.168456 5.231905 4.374605 3.113048 6.123888 2.356934 4.477463 6.232057 4.880374 2.677541 2.722117 3.274043 3.662390 4.582357 3.566766 4.117371 2.865232 2.808068 3.968908 2.626407 3.729914 3.896154 4.796873 3.395953 4.250323 5.227311 4.282657 4.492954 0.000000 3.547108 4.453441 5.456456 5.621044 4.918882 3.808442 6.315256 3.015875 4.693914 6.583068 5.461510 3.582406 3.818785 3.959336 4.743720 5.686638 4.577882 5.125193 3.895273 3.769596 4.984267 3.485605 4.047544 4.034167 5.118980 3.546611 4.976110 5.887743 4.878813 5.379170 1.112233 0.000000 4.921274 5.873971 6.808150 6.840235 6.028341 4.973047 7.673622 4.382073 6.133471 7.739595 6.396018 4.440502 4.594660 4.450438 5.684109 6.489853 5.546833 6.228322 4.247911 4.105427 5.226055 3.551910 4.445435 4.065518 5.527211 4.174859 5.161597 6.070506 4.750060 5.639519 2.137340 1.443566 0.000000 3.701569 4.411753 5.560334 5.987844 5.467604 4.325054 6.313209 3.015915 4.389047 6.993165 6.157314 4.316629 4.381027 4.915121 5.035471 6.015435 4.642099 5.381361 4.499395 4.141479 5.593241 4.275822 5.049424 5.106233 6.092644 4.442703 5.968139 6.900782 5.915261 6.275132 1.787790 1.101063 2.098081 0.000000 3.305945 4.030682 4.825353 4.933891 4.348646 3.475188 5.642342 3.109923 4.380936 5.822700 4.901337 3.533024 4.154908 3.772126 5.113669 6.108295 5.097932 5.293918 4.499471 4.577088 5.572841 4.053000 3.520080 3.579563 4.509718 2.802136 4.960200 5.728061 4.966865 5.519200 1.784344 1.100662 2.100208 1.777270 0.000000 5.344067 6.371760 7.093538 6.837343 5.882827 5.009686 8.014301 5.011812 6.842183 7.619133 6.009856 4.264984 4.640029 3.816089 5.948137 6.652484 6.065423 6.481724 4.236122 4.424431 5.074698 3.290030 3.632847 2.981242 4.647597 3.636005 4.307940 5.097730 3.730793 4.964650 2.762087 2.397615 1.441608 3.349103 2.621493 0.000000 5.656761 6.695086 7.780135 7.875241 6.998891 5.794215 8.666636 4.900786 6.849959 8.833800 7.367160 5.082158 4.826255 5.224831 5.774498 6.443196 5.471142 6.508382 4.125820 3.687534 4.988423 3.540101 5.520867 5.142570 6.617203 5.390904 5.700544 6.706618 5.193381 5.962240 2.718508 2.395955 1.442140 2.657764 3.352511 2.399761 0.000000 5.233520 6.119704 6.660647 6.338568 5.481421 4.826442 7.528771 5.109150 6.655805 7.027304 5.581350 4.301967 4.990785 3.714109 6.310119 7.083085 6.518287 6.679329 4.863945 5.181186 5.723497 3.956143 3.125184 2.426408 4.051164 2.989579 4.383474 5.005899 3.936399 5.205419 3.133689 2.651225 2.092359 3.623069 2.395155 1.100736 3.348340 0.000000 6.439257 7.464399 8.180284 7.901090 6.932539 6.087611 9.088286 6.069395 7.907614 8.648976 6.990401 5.263870 5.551754 4.693922 6.869597 7.494835 6.965177 7.475202 4.947987 5.085811 5.667016 3.936392 4.472394 3.645514 5.404343 4.585316 4.946365 5.674632 4.174529 5.602275 3.765755 3.351165 2.094533 4.176469 3.630048 1.100736 2.625922 1.778654 0.000000 5.092075 6.257698 6.957417 6.561809 5.455230 4.555322 7.953331 4.780185 6.834801 7.338708 5.463609 3.554154 3.849884 3.002804 5.230115 5.825098 5.480881 5.820526 3.353081 3.730611 4.096040 2.328489 3.130556 2.557708 4.143583 3.405522 3.292065 4.150468 2.682359 3.890992 2.628541 2.729413 2.143838 3.762515 3.020492 1.115337 2.771175 1.785492 1.791577 0.000000 6.703595 7.740438 8.778289 8.812015 7.902723 6.752248 9.662200 5.983686 7.911596 9.732142 8.189023 5.955639 5.725991 5.905437 6.738045 7.331435 6.473079 7.512458 4.879290 4.488077 5.618120 4.172539 6.107273 5.554387 7.169102 6.068655 6.211301 7.166641 5.536616 6.521467 3.742399 3.349906 2.096051 3.643581 4.181867 2.642331 1.100924 3.621498 2.386638 3.117525 0.000000 5.749606 6.668187 7.858186 8.145032 7.394377 6.140339 8.672804 4.889459 6.645876 9.149545 7.895574 5.610949 5.258025 5.973048 5.989431 6.704426 5.494463 6.690884 4.667144 4.025446 5.561743 4.291145 6.293909 6.023576 7.399365 6.024535 6.570608 7.601212 6.162958 6.761559 3.042573 2.634297 2.094107 2.416632 3.640156 3.350594 1.100955 4.170186 3.621059 3.783197 1.778233 0.000000 5.478174 6.647812 7.753626 7.767104 6.779119 5.510481 8.704998 4.675990 6.871530 8.739663 7.085166 4.607267 4.108967 4.816461 5.026972 5.571696 4.756536 5.873569 3.200256 2.704826 3.975536 2.700311 5.387418 5.099744 6.468680 5.410698 5.126123 6.185961 4.646323 5.217139 2.594844 2.742819 2.142152 3.110128 3.752154 2.751296 1.114934 3.774425 3.063355 2.659219 1.789697 1.787695 0.000000 C12H26BN4(2) C1 1 C1 1 C1 1 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 0 210.96619999999996 AuxInfo=1/0/N:15,19,23,27,3,2,4,1,5,12,13,14,6;32,36,37,33/E:(1,2,3,4)(6,7)(8,9)(11,12);(1,2,3)/CRV:5.3,6.3,7.3,8.3,9.3;/rA:43nC3C3C3C3C3NHHHHHBNNCHHHCHHHCHHHCHHHHCNHHCCHHHHHH/rB:s1;s2;s3;s4;s1s5;s3;s1;s2;s4;s5;s6;s12;s12;s13;s15;s15;s15;s13;s19;s19;s19;s14;s23;s23;s23;s14;s27;s27;s27;;s31;s32;s32;s32;s33;s33;s36;s36;s36;s37;s37;s37;/rC:1.7044,-1.1142,.7855;2.7621,-1.9621,.6254;3.8076,-1.6678,-.2854;3.6993,-.4505,-1.0047;2.6296,.379,-.8314;1.5869,.0781,.0565;4.6557,-2.3382,-.4191;.8844,-1.3284,1.4696;2.7802,-2.8798,1.2169;4.4789,-.1464,-1.7063;2.5385,1.3306,-1.354;.4241,.9719,.2089;-.1172,1.1797,1.5182;-.1168,1.6002,-.9571;.678,1.1148,2.7237;.603,2.0592,3.2939;.3472,.3001,3.3955;1.7362,.9496,2.4855;-1.5048,1.49,1.7666;-1.9297,.791,2.5111;-1.6493,2.5142,2.1612;-2.0968,1.3871,.8485;-.0252,1.0324,-2.2831;-1.0217,.995,-2.7582;.6314,1.625,-2.9483;.3675,.0083,-2.2432;-.7842,2.8804,-.9304;-.3338,3.5678,-1.6698;-1.8617,2.8007,-1.1743;-.6886,3.3483,.0573;-1.2627,-1.0828,.5288;-1.6374,-1.9451,-.0654;-2.9958,-1.7652,-.5194;-1.5599,-2.8453,.5638;-.9581,-2.0767,-.9214;-3.1168,-.6991,-1.4821;-3.9246,-1.6324,.5758;-2.4773,-.9038,-2.3543;-4.1559,-.6232,-1.8374;-2.8194,.297,-1.0781;-4.957,-1.5802,.1969;-3.8552,-2.5076,1.2401;-3.7443,-.7239,1.1965; 0.5381048 0.3057149 0.2826031 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 0 210.96619999999996 AuxInfo=1/0/N:15,19,23,27,3,2,4,1,5,12,13,14,6;32,36,37,33/E:(1,2,3,4)(6,7)(8,9)(11,12);(1,2,3)/CRV:5.3,6.3,7.3,8.3,9.3;/rA:43nC3C3C3C3C3NHHHHHBNNCHHHCHHHCHHHCHHHHCNHHCCHHHHHH/rB:s1;s2;s3;s4;s1s5;s3;s1;s2;s4;s5;s6;s12;s12;s13;s15;s15;s15;s13;s19;s19;s19;s14;s23;s23;s23;s14;s27;s27;s27;;s31;s32;s32;s32;s33;s33;s36;s36;s36;s37;s37;s37;/rC:-1.7044,-1.1142,-.7855;-2.7621,-1.9621,-.6254;-3.8076,-1.6678,.2854;-3.6993,-.4505,1.0047;-2.6296,.379,.8314;-1.5869,.0781,-.0565;-4.6557,-2.3382,.4191;-.8844,-1.3284,-1.4696;-2.7802,-2.8798,-1.2169;-4.4789,-.1464,1.7063;-2.5385,1.3306,1.354;-.4241,.9719,-.2089;.1172,1.1797,-1.5182;.1168,1.6002,.9571;-.678,1.1148,-2.7237;-.603,2.0592,-3.2939;-.3472,.3001,-3.3955;-1.7362,.9496,-2.4855;1.5048,1.49,-1.7666;1.9297,.791,-2.5111;1.6493,2.5142,-2.1612;2.0968,1.3871,-.8485;.0252,1.0324,2.2831;1.0217,.995,2.7582;-.6314,1.625,2.9483;-.3675,.0083,2.2432;.7842,2.8804,.9304;.3338,3.5678,1.6698;1.8617,2.8007,1.1743;.6886,3.3483,-.0573;1.2627,-1.0828,-.5288;1.6374,-1.9451,.0654;2.9958,-1.7652,.5194;1.5599,-2.8453,-.5638;.9581,-2.0767,.9214;3.1168,-.6991,1.4821;3.9246,-1.6324,-.5758;2.4773,-.9038,2.3543;4.1559,-.6232,1.8374;2.8194,.297,1.0781;4.957,-1.5802,-.1969;3.8552,-2.5076,-1.2401;3.7443,-.7239,-1.1965; 0.000000 1.365007 0.000000 2.424158 1.417474 0.000000 2.761316 2.412604 1.418092 0.000000 2.387443 2.760514 2.423811 1.364615 0.000000 1.402396 2.422179 2.845377 2.422312 1.402191 0.000000 3.414559 2.195039 1.089309 2.195679 3.414338 3.934680 0.000000 1.089210 2.154090 3.426424 3.849257 3.354944 2.113902 4.337029 0.000000 2.112074 1.091993 2.186687 3.417929 3.852021 3.394050 2.547083 2.462699 0.000000 3.852696 3.417738 2.187273 1.091990 2.112159 3.394299 2.547908 4.940039 4.347690 0.000000 3.354084 3.848345 3.426770 2.154460 1.089485 2.112735 4.337787 4.216489 4.939188 2.463930 0.000000 2.514634 3.774650 4.319746 3.771335 2.509634 1.474565 5.409006 2.663160 4.626325 4.621697 2.653655 0.000000 3.019453 4.354101 5.173478 4.856748 3.702258 2.500824 6.237704 2.701136 4.996534 5.768852 3.914644 1.431888 0.000000 3.704254 4.845891 5.150924 4.332480 3.008378 2.499419 6.211063 3.932916 5.761054 4.973213 2.698297 1.430719 2.510712 0.000000 3.127052 4.267680 5.156682 5.047696 4.121768 3.002468 6.133671 2.754005 4.758805 5.971757 4.487235 2.531601 1.445637 3.796785 0.000000 4.192275 5.287004 6.080326 5.862005 4.893679 3.920880 7.038951 3.857815 5.783355 6.699877 5.087167 3.275825 2.108352 4.335818 1.105694 0.000000 3.264132 4.315389 5.421812 5.582318 4.804460 3.568666 6.330494 2.578714 4.558236 6.580191 5.331187 3.257557 2.124584 4.566269 1.106604 1.780500 0.000000 2.674036 3.604211 4.338122 4.242138 3.482207 2.584950 5.269707 2.635768 4.167005 5.127828 3.940862 2.627734 2.103267 3.963384 1.097163 1.780060 1.783127 0.000000 4.247733 5.605829 6.511783 6.207088 5.007730 3.804813 7.575191 3.706675 6.144767 7.109368 5.109912 2.532843 1.443419 3.058896 2.412807 2.664495 2.738456 3.363486 0.000000 4.451303 5.757432 6.839737 6.751837 5.668261 4.347380 7.857791 3.673611 6.110041 7.728816 5.932444 3.297388 2.102869 3.996144 2.636310 2.938607 2.491444 3.669406 1.106025 0.000000 5.128875 6.469647 7.297432 6.886213 5.641300 4.564838 8.364010 4.654402 7.043268 7.719532 5.594175 3.238682 2.131140 3.592680 2.773343 2.561862 3.226767 3.743658 1.107100 1.780546 0.000000 4.550774 5.905557 6.743850 6.356536 5.116391 3.988810 7.815393 4.080053 6.490535 7.219295 5.132214 2.633686 2.100099 2.688066 3.360109 3.704144 3.693513 4.190855 1.097246 1.774097 1.787131 0.000000 4.125012 5.019531 5.096279 4.207733 3.095589 2.997263 6.061842 4.525848 5.951959 4.691422 2.743116 2.532959 3.805273 1.445437 5.056652 5.705428 5.737774 5.084231 4.335740 5.164253 4.958367 3.771499 0.000000 4.943528 5.874603 6.043792 5.239464 4.174274 3.945708 6.986729 5.187069 6.728335 5.715447 3.841801 3.300763 4.374947 2.104608 5.740672 6.356130 6.342373 5.924968 4.577377 5.350859 5.186777 3.783913 1.104602 0.000000 4.753490 5.493516 5.293545 4.182942 3.166512 3.512101 6.188572 5.320164 6.500752 4.414058 2.503081 3.230724 4.550604 2.127304 5.695093 6.257311 6.486933 5.585962 5.177984 6.087626 5.665599 4.681356 1.106707 1.779271 0.000000 3.495776 4.224429 4.298413 3.583981 2.692171 2.603968 5.217439 3.979811 5.112228 4.149182 2.692978 2.635307 3.969317 2.103108 5.098163 5.909406 5.646350 5.012036 4.666859 5.337912 5.454004 4.187203 1.097517 1.780107 1.783375 0.000000 5.009458 6.200575 6.495155 5.585914 4.233394 3.801268 7.555659 5.124291 7.106095 6.120815 3.690762 2.529953 3.054981 1.443978 4.313729 4.521446 5.162560 4.663593 3.118700 4.185850 3.231152 2.667836 2.412745 2.636731 2.766224 3.361436 0.000000 5.666050 6.740386 6.817583 5.731939 4.433266 4.341405 7.832004 5.942444 7.720258 6.079417 3.654453 3.292857 3.989119 2.103932 5.132647 5.271780 6.066251 5.329773 4.182971 5.266578 4.185317 3.769004 2.626793 2.877067 2.518103 3.673012 1.105471 0.000000 5.646643 6.877719 7.273123 6.443867 5.114140 4.562979 8.333952 5.619672 7.715806 7.012246 4.642713 3.237722 3.594526 2.129064 4.948469 5.156512 5.658271 5.455815 3.239514 4.198307 3.354528 2.479012 2.780129 2.544608 3.277902 3.729557 1.107584 1.779950 0.000000 5.115744 6.358500 6.744942 5.900183 4.540639 3.984036 7.818212 5.132307 7.222673 6.482757 4.059148 2.628405 2.676492 2.100395 3.737150 3.715620 4.637746 4.186854 2.653579 3.755161 2.458704 2.540793 3.358752 3.684613 3.707505 4.190885 1.097073 1.776717 1.786865 0.000000 2.978361 4.120881 5.168456 5.231905 4.374605 3.113048 6.123888 2.356934 4.477463 6.232057 4.880374 2.677541 2.722117 3.274043 3.662390 4.582357 3.566766 4.117371 2.865232 2.808068 3.968908 2.626407 3.729914 3.896154 4.796873 3.395953 4.250323 5.227311 4.282657 4.492954 0.000000 3.547108 4.453441 5.456456 5.621044 4.918882 3.808442 6.315256 3.015875 4.693914 6.583068 5.461510 3.582406 3.818785 3.959336 4.743720 5.686638 4.577882 5.125193 3.895273 3.769596 4.984267 3.485605 4.047544 4.034167 5.118980 3.546611 4.976110 5.887743 4.878813 5.379170 1.112233 0.000000 4.921274 5.873971 6.808150 6.840235 6.028341 4.973047 7.673622 4.382073 6.133471 7.739595 6.396018 4.440502 4.594660 4.450438 5.684109 6.489853 5.546833 6.228322 4.247911 4.105427 5.226055 3.551910 4.445435 4.065518 5.527211 4.174859 5.161597 6.070506 4.750060 5.639519 2.137340 1.443566 0.000000 3.701569 4.411753 5.560334 5.987844 5.467604 4.325054 6.313209 3.015915 4.389047 6.993165 6.157314 4.316629 4.381027 4.915121 5.035471 6.015435 4.642099 5.381361 4.499395 4.141479 5.593241 4.275822 5.049424 5.106233 6.092644 4.442703 5.968139 6.900782 5.915261 6.275132 1.787790 1.101063 2.098081 0.000000 3.305945 4.030682 4.825353 4.933891 4.348646 3.475188 5.642342 3.109923 4.380936 5.822700 4.901337 3.533024 4.154908 3.772126 5.113669 6.108295 5.097932 5.293918 4.499471 4.577088 5.572841 4.053000 3.520080 3.579563 4.509718 2.802136 4.960200 5.728061 4.966865 5.519200 1.784344 1.100662 2.100208 1.777270 0.000000 5.344067 6.371760 7.093538 6.837343 5.882827 5.009686 8.014301 5.011812 6.842183 7.619133 6.009856 4.264984 4.640029 3.816089 5.948137 6.652484 6.065423 6.481724 4.236122 4.424431 5.074698 3.290030 3.632847 2.981242 4.647597 3.636005 4.307940 5.097730 3.730793 4.964650 2.762087 2.397615 1.441608 3.349103 2.621493 0.000000 5.656761 6.695086 7.780135 7.875241 6.998891 5.794215 8.666636 4.900786 6.849959 8.833800 7.367160 5.082158 4.826255 5.224831 5.774498 6.443196 5.471142 6.508382 4.125820 3.687534 4.988423 3.540101 5.520867 5.142570 6.617203 5.390904 5.700544 6.706618 5.193381 5.962240 2.718508 2.395955 1.442140 2.657764 3.352511 2.399761 0.000000 5.233520 6.119704 6.660647 6.338568 5.481421 4.826442 7.528771 5.109150 6.655805 7.027304 5.581350 4.301967 4.990785 3.714109 6.310119 7.083085 6.518287 6.679329 4.863945 5.181186 5.723497 3.956143 3.125184 2.426408 4.051164 2.989579 4.383474 5.005899 3.936399 5.205419 3.133689 2.651225 2.092359 3.623069 2.395155 1.100736 3.348340 0.000000 6.439257 7.464399 8.180284 7.901090 6.932539 6.087611 9.088286 6.069395 7.907614 8.648976 6.990401 5.263870 5.551754 4.693922 6.869597 7.494835 6.965177 7.475202 4.947987 5.085811 5.667016 3.936392 4.472394 3.645514 5.404343 4.585316 4.946365 5.674632 4.174529 5.602275 3.765755 3.351165 2.094533 4.176469 3.630048 1.100736 2.625922 1.778654 0.000000 5.092075 6.257698 6.957417 6.561809 5.455230 4.555322 7.953331 4.780185 6.834801 7.338708 5.463609 3.554154 3.849884 3.002804 5.230115 5.825098 5.480881 5.820526 3.353081 3.730611 4.096040 2.328489 3.130556 2.557708 4.143583 3.405522 3.292065 4.150468 2.682359 3.890992 2.628541 2.729413 2.143838 3.762515 3.020492 1.115337 2.771175 1.785492 1.791577 0.000000 6.703595 7.740438 8.778289 8.812015 7.902723 6.752248 9.662200 5.983686 7.911596 9.732142 8.189023 5.955639 5.725991 5.905437 6.738045 7.331435 6.473079 7.512458 4.879290 4.488077 5.618120 4.172539 6.107273 5.554387 7.169102 6.068655 6.211301 7.166641 5.536616 6.521467 3.742399 3.349906 2.096051 3.643581 4.181867 2.642331 1.100924 3.621498 2.386638 3.117525 0.000000 5.749606 6.668187 7.858186 8.145032 7.394377 6.140339 8.672804 4.889459 6.645876 9.149545 7.895574 5.610949 5.258025 5.973048 5.989431 6.704426 5.494463 6.690884 4.667144 4.025446 5.561743 4.291145 6.293909 6.023576 7.399365 6.024535 6.570608 7.601212 6.162958 6.761559 3.042573 2.634297 2.094107 2.416632 3.640156 3.350594 1.100955 4.170186 3.621059 3.783197 1.778233 0.000000 5.478174 6.647812 7.753626 7.767104 6.779119 5.510481 8.704998 4.675990 6.871530 8.739663 7.085166 4.607267 4.108967 4.816461 5.026972 5.571696 4.756536 5.873569 3.200256 2.704826 3.975536 2.700311 5.387418 5.099744 6.468680 5.410698 5.126123 6.185961 4.646323 5.217139 2.594844 2.742819 2.142152 3.110128 3.752154 2.751296 1.114934 3.774425 3.063355 2.659219 1.789697 1.787695 0.000000 C12H26BN4(2) C1 1 C1 1 C1 1 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 0 210.96619999999996 AuxInfo=1/0/N:15,19,23,27,3,2,4,1,5,12,13,14,6;32,36,37,33/E:(1,2,3,4)(6,7)(8,9)(11,12);(1,2,3)/CRV:5.3,6.3,7.3,8.3,9.3;/rA:43nC3C3C3C3C3NHHHHHBNNCHHHCHHHCHHHCHHHHCNHHCCHHHHHH/rB:s1;s2;s3;s4;s1s5;s3;s1;s2;s4;s5;s6;s12;s12;s13;s15;s15;s15;s13;s19;s19;s19;s14;s23;s23;s23;s14;s27;s27;s27;;s31;s32;s32;s32;s33;s33;s36;s36;s36;s37;s37;s37;/rC:1.7044,-1.1142,.7855;2.7621,-1.9621,.6254;3.8076,-1.6678,-.2854;3.6993,-.4505,-1.0047;2.6296,.379,-.8314;1.5869,.0781,.0565;4.6557,-2.3382,-.4191;.8844,-1.3284,1.4696;2.7802,-2.8798,1.2169;4.4789,-.1464,-1.7063;2.5385,1.3306,-1.354;.4241,.9719,.2089;-.1172,1.1797,1.5182;-.1168,1.6002,-.9571;.678,1.1148,2.7237;.603,2.0592,3.2939;.3472,.3001,3.3955;1.7362,.9496,2.4855;-1.5048,1.49,1.7666;-1.9297,.791,2.5111;-1.6493,2.5142,2.1612;-2.0968,1.3871,.8485;-.0252,1.0324,-2.2831;-1.0217,.995,-2.7582;.6314,1.625,-2.9483;.3675,.0083,-2.2432;-.7842,2.8804,-.9304;-.3338,3.5678,-1.6698;-1.8617,2.8007,-1.1743;-.6886,3.3483,.0573;-1.2627,-1.0828,.5288;-1.6374,-1.9451,-.0654;-2.9958,-1.7652,-.5194;-1.5599,-2.8453,.5638;-.9581,-2.0767,-.9214;-3.1168,-.6991,-1.4821;-3.9246,-1.6324,.5758;-2.4773,-.9038,-2.3543;-4.1559,-.6232,-1.8374;-2.8194,.297,-1.0781;-4.957,-1.5802,.1969;-3.8552,-2.5076,1.2401;-3.7443,-.7239,1.1965; 0.5381048 0.3057149 0.2826031 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= 384 383 384 384 384 MxSgAt= 43 MxSgA2= 43. 1 open 1 0 1 -715.933743048974 -716.006465153804 -0.072722104829 -716.069532375744 -0.063067221941 -716.090115618038 -0.020583242293 -716.092153562879 -0.002037944842 -716.092403892317 -0.000250329438 -716.092542008410 -0.000138116093 -716.092597531991 -0.000055523582 -716.092607018069 -0.000009486077 -716.092660961106 -0.000053943037 -716.092662117798 -0.000001156692 -716.092662239470 -0.000000121672 -716.092662304699 -0.000000065230 -716.092662352827 -0.000000048128 -716.092662364960 -0.000000012133 -716.092662367488 -0.000000002528 -716.092662368018 -0.000000000530 -716.092662368217 -0.000000000198 -716.092662368270 -0.000000000054 -716.092662368284 -0.000000000013 -716.092662368277 0.000000000007 -716.092662368306 -0.000000000029 -716.092662368 22 0.7798 7.076317114218e+02 -4.254590620437e+03 1.532338827865e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3145728000 LenX= 3145421584 LenY= 3145272918 Requested convergence on RMS density matrix=1.00D-08 within 32 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. 0.7798 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 C C C C C N H H H H H B N N C H H H C H H H C H H H C H H H H C N H H C C H H H H H H 13 13 13 13 13 14 1 1 1 1 1 11 14 14 13 1 1 1 13 1 1 1 13 1 1 1 13 1 1 1 1 13 14 1 1 13 13 1 1 1 1 1 1 0.04725 -0.04826 0.09445 -0.04777 0.04657 0.04670 -0.00791 -0.00473 0.00156 0.00154 -0.00466 -0.00234 0.00976 0.01053 -0.00069 -0.00001 -0.00003 0.00009 0.00135 0.00036 0.00005 -0.00003 -0.00062 -0.00003 -0.00003 0.00011 0.00155 0.00038 0.00005 -0.00003 0.00001 0.00028 0.00029 0.00008 0.00004 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 53.11495 -54.25709 106.18441 -53.70728 52.35145 15.08877 -35.36809 -21.14276 6.95339 6.90080 -20.84433 -3.35464 3.15441 3.40225 -0.77153 -0.05550 -0.12054 0.38811 1.51895 1.60705 0.21936 -0.12620 -0.69321 -0.12245 -0.12183 0.48137 1.74382 1.67675 0.21970 -0.13092 0.03146 0.31855 0.09366 0.33658 0.17174 0.00533 0.00707 -0.00069 -0.00356 -0.00970 0.00355 0.00123 -0.00553 18.95274 -19.36028 37.88924 -19.16409 18.68030 5.38405 -12.62021 -7.54426 2.48114 2.46238 -7.43778 -1.19702 1.12557 1.21401 -0.27530 -0.01980 -0.04301 0.13849 0.54200 0.57344 0.07827 -0.04503 -0.24735 -0.04369 -0.04347 0.17176 0.62224 0.59831 0.07840 -0.04672 0.01123 0.11367 0.03342 0.12010 0.06128 0.00190 0.00252 -0.00024 -0.00127 -0.00346 0.00127 0.00044 -0.00197 17.71724 -18.09822 35.41931 -17.91482 17.46257 5.03307 -11.79752 -7.05247 2.31940 2.30186 -6.95292 -1.11899 1.05220 1.13487 -0.25736 -0.01851 -0.04021 0.12946 0.50667 0.53605 0.07317 -0.04209 -0.23123 -0.04084 -0.04064 0.16057 0.58167 0.55930 0.07329 -0.04367 0.01049 0.10626 0.03124 0.11227 0.05729 0.00178 0.00236 -0.00023 -0.00119 -0.00324 0.00118 0.00041 -0.00184 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 -0.046136 0.024425 -0.070170 0.017827 -0.059067 -0.086173 0.018344 0.008382 0.003780 0.000536 -0.017533 0.007326 -0.004972 0.003442 -0.001959 -0.001100 -0.000851 -0.004557 0.003659 0.001198 0.000530 0.002135 0.000926 0.000702 -0.000694 0.001466 -0.000267 -0.000363 0.000961 -0.000187 0.004926 0.002881 0.001699 0.001736 0.002636 0.001338 0.001002 0.001137 0.000806 0.001782 0.000686 0.000779 0.001131 -0.060981 0.013280 -0.088634 0.025748 -0.056537 -0.080130 -0.000587 -0.016066 -0.001196 0.003008 0.017220 0.008631 0.013670 0.005708 -0.000935 -0.000187 -0.001686 -0.000321 -0.001812 -0.000951 0.000003 -0.001042 -0.002383 -0.001257 -0.000784 -0.004682 0.002832 0.001094 0.000000 0.001369 -0.002042 -0.000906 -0.000735 -0.000268 -0.000945 -0.000758 -0.000469 -0.000807 -0.000452 -0.000918 -0.000324 -0.000327 -0.000574 0.107117 -0.037705 0.158803 -0.043575 0.115604 0.166303 -0.017757 0.007683 -0.002584 -0.003544 0.000313 -0.015957 -0.008698 -0.009149 0.002894 0.001287 0.002536 0.004878 -0.001847 -0.000247 -0.000533 -0.001094 0.001457 0.000554 0.001478 0.003216 -0.002565 -0.000730 -0.000961 -0.001183 -0.002884 -0.001974 -0.000965 -0.001468 -0.001690 -0.000579 -0.000532 -0.000330 -0.000354 -0.000864 -0.000362 -0.000452 -0.000557 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 0.116721 -0.047664 0.196026 -0.049221 0.110164 0.182195 -0.028919 0.012041 -0.003701 -0.004950 0.001237 0.003203 0.011524 0.013943 -0.001955 -0.000748 -0.000916 -0.000869 -0.001958 -0.000621 -0.001344 -0.001277 -0.002168 -0.000819 -0.001695 -0.000303 -0.003420 -0.001332 -0.001520 -0.001944 0.001358 0.001610 0.000391 0.001874 0.002397 0.000167 0.000308 0.000269 0.000064 -0.000233 0.000174 0.000425 0.000128 0.179598 -0.072131 0.307917 -0.059577 0.174837 0.277336 0.006935 -0.016008 -0.004653 -0.001527 0.008454 0.004363 -0.009500 -0.009439 -0.002299 -0.000874 -0.002345 -0.000388 -0.001971 -0.001495 -0.000995 -0.000611 0.002748 0.002014 0.001912 0.005248 0.000621 0.000354 0.000527 -0.000095 -0.001017 0.000174 0.000295 -0.000334 0.001894 0.000632 -0.000146 0.001059 0.000382 0.000630 -0.000019 -0.000250 -0.000330 0.169110 -0.059628 0.300458 -0.065482 0.170746 0.281529 0.020294 -0.000111 -0.001061 -0.002930 -0.014582 0.010009 -0.011850 -0.013008 0.002247 0.001886 0.000996 0.004779 0.000881 0.000174 0.000740 0.000183 -0.002168 -0.000631 -0.002426 -0.000286 -0.000542 -0.001022 -0.000459 0.000125 -0.000397 0.000001 0.000011 -0.000277 0.000864 0.000032 -0.000001 0.000151 0.000018 -0.000073 -0.000002 -0.000086 -0.000012 -0.6657 0.7459 -0.0237 -0.5612 -0.4794 0.6748 0.4919 0.4625 0.7377 -0.1705 -0.1624 0.3329 -22.883 -21.79 44.673 -8.165 -7.775 15.941 -7.633 -7.269 14.901 1 C 13 0.4969 0.4781 0.7242 0.0016 0.834 -0.5517 0.8678 -0.2753 -0.4137 -0.1266 0.0526 0.0739 -16.984 7.063 9.921 -6.06 2.52 3.54 -5.665 2.356 3.309 2 C 13 -0.3875 -0.6242 0.6784 0.777 -0.6172 -0.124 0.4961 0.4791 0.7241 -0.2935 -0.275 0.5685 -39.386 -36.907 76.293 -14.054 -13.169 27.223 -13.138 -12.311 25.448 3 C 13 0.4752 0.4782 0.7386 0.7016 0.3006 -0.646 -0.531 0.8252 -0.1926 -0.1243 0.0516 0.0727 -16.68 6.924 9.756 -5.952 2.471 3.481 -5.564 2.31 3.254 4 C 13 0.857 -0.4454 -0.2591 0.2141 0.7651 -0.6072 0.4687 0.4649 0.7511 -0.1692 -0.1612 0.3304 -22.702 -21.633 44.335 -8.101 -7.719 15.82 -7.573 -7.216 14.789 5 C 13 0.7789 -0.6197 -0.0962 -0.41 -0.6193 0.6696 0.4746 0.4821 0.7365 -0.2654 -0.2639 0.5293 -10.236 -10.178 20.414 -3.652 -3.632 7.284 -3.414 -3.395 6.809 6 N 14 -0.3874 -0.6255 0.6772 0.493 0.4801 0.7255 0.779 -0.615 -0.1224 -0.0405 4.0E-4 0.0401 -21.593 0.206 21.387 -7.705 0.073 7.631 -7.203 0.069 7.134 7 H 1 -0.4583 0.8557 -0.2401 0.5012 0.4719 0.7254 0.734 0.2121 -0.6452 -0.0225 -0.0034 0.0259 -11.996 -1.84 13.836 -4.281 -0.657 4.937 -4.002 -0.614 4.615 8 H 1 0.4982 0.4876 0.717 0.0563 0.807 -0.5879 0.8652 -0.3332 -0.3746 -0.0065 -7.0E-4 0.0072 -3.488 -0.364 3.852 -1.245 -0.13 1.375 -1.164 -0.121 1.285 9 H 1 0.4935 0.4796 0.7256 -0.6505 -0.3503 0.6739 -0.5774 0.8046 -0.1391 -0.0065 -5.0E-4 0.0071 -3.478 -0.292 3.77 -1.241 -0.104 1.345 -1.16 -0.097 1.258 10 H 1 0.8701 -0.1947 -0.4527 0.487 0.4806 0.7293 -0.0756 0.855 -0.513 -0.0222 -0.0037 0.0259 -11.849 -1.949 13.798 -4.228 -0.695 4.923 -3.952 -0.65 4.602 11 H 1 -0.1136 -0.3179 0.9413 0.8461 -0.5276 -0.076 0.5208 0.7878 0.3289 -0.0199 0.0049 0.0149 -3.401 0.845 2.556 -1.214 0.302 0.912 -1.134 0.282 0.852 12 B 11 0.5583 0.109 0.8225 0.71 -0.5757 -0.4056 0.4293 0.8104 -0.3988 -0.0167 -0.0089 0.0256 -0.645 -0.343 0.988 -0.23 -0.122 0.352 -0.215 -0.114 0.329 13 N 14 0.1061 0.4471 0.8882 0.7929 -0.5771 0.1958 0.6001 0.6834 -0.4157 -0.0168 -0.009 0.0259 -0.649 -0.349 0.997 -0.232 -0.124 0.356 -0.216 -0.116 0.333 14 N 14 0.8371 0.5354 0.1125 -0.3907 0.729 -0.562 -0.3829 0.4265 0.8194 -0.0035 -0.0016 0.0051 -0.472 -0.217 0.689 -0.168 -0.078 0.246 -0.157 -0.072 0.23 15 C 13 0.6098 0.7344 -0.298 0.7434 -0.3995 0.5364 -0.2749 0.5486 0.7896 -0.0016 -0.0013 0.0029 -0.839 -0.709 1.548 -0.3 -0.253 0.552 -0.28 -0.236 0.516 16 H 1 0.723 0.6575 0.2121 -0.5193 0.7197 -0.4608 -0.4556 0.223 0.8618 -0.0024 -0.0017 0.004 -1.265 -0.887 2.152 -0.451 -0.316 0.768 -0.422 -0.296 0.718 17 H 1 0.946 0.3042 -0.1124 -0.3181 0.8029 -0.5042 -0.0631 0.5127 0.8563 -0.0048 -0.003 0.0078 -2.556 -1.589 4.145 -0.912 -0.567 1.479 -0.852 -0.53 1.382 18 H 1 0.0184 -0.6788 0.7341 0.4249 0.67 0.6088 0.9051 -0.3007 -0.3007 -0.0027 -0.0023 0.005 -0.364 -0.302 0.666 -0.13 -0.108 0.238 -0.121 -0.101 0.222 19 C 13 0.5175 0.58 0.6292 -0.1783 0.7922 -0.5836 0.8369 -0.1898 -0.5134 -0.0013 -9.0E-4 0.0023 -0.702 -0.501 1.203 -0.251 -0.179 0.429 -0.234 -0.167 0.401 20 H 1 0.6785 0.3896 0.6227 0.1957 0.7211 -0.6646 0.708 -0.5728 -0.4131 -0.0012 -0.001 0.0022 -0.616 -0.557 1.172 -0.22 -0.199 0.418 -0.205 -0.186 0.391 21 H 1 0.3453 0.933 0.1013 0.1217 -0.1515 0.9809 0.9306 -0.3264 -0.1659 -0.0015 -0.0012 0.0027 -0.797 -0.639 1.436 -0.285 -0.228 0.513 -0.266 -0.213 0.479 22 H 1 0.3004 0.9252 0.2319 0.7168 -0.0585 -0.6948 0.6292 -0.375 0.6808 -0.0036 -0.0016 0.0052 -0.487 -0.209 0.697 -0.174 -0.075 0.249 -0.163 -0.07 0.232 23 C 13 0.4987 0.8375 -0.2235 -0.5066 0.4909 0.7088 0.7033 -0.2402 0.6691 -0.0016 -0.0013 0.0029 -0.841 -0.705 1.546 -0.3 -0.252 0.552 -0.28 -0.235 0.516 24 H 1 0.4765 0.8347 0.2762 0.7539 -0.2262 -0.6168 0.4523 -0.5021 0.7371 -0.0026 -0.0017 0.0043 -1.363 -0.933 2.296 -0.486 -0.333 0.819 -0.455 -0.311 0.766 25 H 1 0.0424 0.9991 0.008 0.7621 -0.0272 -0.6469 0.6461 -0.0335 0.7625 -0.0047 -0.003 0.0077 -2.506 -1.589 4.095 -0.894 -0.567 1.461 -0.836 -0.53 1.366 26 H 1 -0.5208 -0.2371 0.8201 0.6599 0.4976 0.5629 -0.5416 0.8344 -0.1027 -0.0028 -0.0023 0.0051 -0.376 -0.311 0.687 -0.134 -0.111 0.245 -0.125 -0.104 0.229 27 C 13 0.5371 0.5598 0.631 0.7058 0.1115 -0.6996 -0.462 0.8211 -0.3352 -0.0013 -9.0E-4 0.0023 -0.712 -0.493 1.206 -0.254 -0.176 0.43 -0.238 -0.165 0.402 28 H 1 0.2968 0.6568 0.6932 -0.5426 -0.4814 0.6884 0.7858 -0.5804 0.2135 -0.0012 -0.0011 0.0022 -0.625 -0.563 1.188 -0.223 -0.201 0.424 -0.208 -0.188 0.396 29 H 1 0.8284 0.5595 0.0269 3.0E-4 -0.0485 0.9988 -0.5602 0.8274 0.0403 -0.0015 -0.0012 0.0027 -0.802 -0.634 1.436 -0.286 -0.226 0.513 -0.268 -0.212 0.479 30 H 1 0.0763 0.269 0.9601 -0.214 0.9449 -0.2477 0.9738 0.1866 -0.1297 -0.0031 -0.0022 0.0053 -1.641 -1.198 2.839 -0.586 -0.428 1.013 -0.547 -0.4 0.947 31 H 1 -0.0692 0.102 0.9924 -0.3389 0.9332 -0.1195 0.9383 0.3446 0.03 -0.002 -0.0015 0.0035 -0.267 -0.2 0.467 -0.095 -0.071 0.167 -0.089 -0.067 0.156 32 C 13 -0.1285 0.1462 0.9809 -0.1342 0.9774 -0.1633 0.9826 0.1526 0.106 -0.001 -8.0E-4 0.0018 -0.039 -0.03 0.069 -0.014 -0.011 0.025 -0.013 -0.01 0.023 33 N 14 -0.1327 0.3938 0.9096 -0.5049 0.7628 -0.4039 0.8529 0.5129 -0.0976 -0.0015 -0.0014 0.0029 -0.821 -0.727 1.548 -0.293 -0.259 0.552 -0.274 -0.243 0.516 34 H 1 -0.3929 0.1047 0.9136 -0.3521 0.9007 -0.2546 0.8495 0.4217 0.317 -0.0024 -0.0021 0.0045 -1.284 -1.135 2.418 -0.458 -0.405 0.863 -0.428 -0.379 0.807 35 H 1 -0.2497 0.7188 0.6488 -0.158 -0.6913 0.7051 0.9554 0.0735 0.2862 -8.0E-4 -8.0E-4 0.0015 -0.106 -0.101 0.207 -0.038 -0.036 0.074 -0.035 -0.034 0.069 36 C 13 0.1887 -0.5898 0.7852 -0.1006 0.7838 0.6129 0.9769 0.1946 -0.0886 -6.0E-4 -5.0E-4 0.0011 -0.076 -0.068 0.144 -0.027 -0.024 0.052 -0.025 -0.023 0.048 37 C 13 -0.4347 -0.1934 0.8796 -0.1954 0.9737 0.1175 0.8792 0.1208 0.461 -9.0E-4 -8.0E-4 0.0017 -0.473 -0.45 0.923 -0.169 -0.16 0.329 -0.158 -0.15 0.308 38 H 1 -0.2898 0.0701 0.9545 -0.0261 0.9964 -0.0811 0.9567 0.0484 0.2869 -5.0E-4 -5.0E-4 9.0E-4 -0.25 -0.243 0.493 -0.089 -0.087 0.176 -0.083 -0.081 0.164 39 H 1 -0.1916 0.2607 0.9462 0.1375 0.9617 -0.2372 0.9718 -0.0846 0.2201 -0.001 -9.0E-4 0.0019 -0.54 -0.498 1.038 -0.193 -0.178 0.37 -0.18 -0.166 0.346 40 H 1 0.0302 -0.0731 0.9969 -0.1631 0.9836 0.077 0.9861 0.1649 -0.0178 -4.0E-4 -4.0E-4 7.0E-4 -0.194 -0.188 0.382 -0.069 -0.067 0.136 -0.065 -0.063 0.127 41 H 1 0.1591 0.0982 0.9824 -0.3292 0.9434 -0.041 0.9308 0.3168 -0.1824 -5.0E-4 -5.0E-4 0.001 -0.267 -0.252 0.519 -0.095 -0.09 0.185 -0.089 -0.084 0.173 42 H 1 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) PT1525.100S Mon Jul 1 10:47:09 2024 -14.45849 -14.43324 -14.43316 -14.42729 -10.32358 -10.32317 -10.31999 -10.31987 -10.31789 -10.31780 -10.31304 -10.31299 -10.30883 -10.28829 -10.28802 -10.27647 -6.86912 -1.03955 -1.01305 -1.00330 -0.98884 -0.87962 -0.84353 -0.80438 -0.79531 -0.79281 -0.79075 -0.74743 -0.71433 -0.71317 -0.69814 -0.67323 -0.63579 -0.59639 -0.57883 -0.55904 -0.55807 -0.55368 -0.55181 -0.54977 -0.54353 -0.54108 -0.53379 -0.52385 -0.50681 -0.50444 -0.48853 -0.47930 -0.47459 -0.47051 -0.46871 -0.46420 -0.45380 -0.44948 -0.44520 -0.44318 -0.44120 -0.43982 -0.42857 -0.42229 -0.37702 -0.34450 -0.33466 -0.29428 -0.28500 -0.18390 0.07477 0.11161 0.12574 0.13718 0.14800 0.15590 0.16393 0.17377 0.17855 0.18472 0.18692 0.19090 0.19336 0.19984 0.20384 0.21089 0.21169 0.21802 0.22361 0.22613 0.23285 0.24315 0.24376 0.24969 0.25176 0.25490 0.26387 0.26871 0.27266 0.27984 0.29263 0.30520 0.32340 0.32501 0.32735 0.33566 0.33993 0.35459 0.36542 0.37932 0.39771 0.40107 0.43405 0.45740 0.45873 0.48329 0.48745 0.50002 0.50452 0.51504 0.52256 0.53091 0.53682 0.54286 0.55287 0.55907 0.57075 0.57713 0.57938 0.57993 0.58717 0.59963 0.61169 0.62626 0.63860 0.64970 0.65331 0.66512 0.67367 0.67754 0.68184 0.69293 0.69563 0.71067 0.71218 0.71840 0.72303 0.72743 0.73381 0.74023 0.74366 0.74719 0.75166 0.75392 0.75736 0.75817 0.76248 0.76605 0.77495 0.77618 0.77825 0.78515 0.79250 0.79485 0.79838 0.80524 0.81223 0.81400 0.82220 0.82738 0.83149 0.83752 0.84617 0.85814 0.85953 0.87093 0.87760 0.88112 0.89812 0.90629 0.91609 0.92377 0.94663 0.96192 0.97407 0.99382 1.01155 1.01405 1.03539 1.04992 1.05330 1.06362 1.07579 1.09978 1.12225 1.14654 1.17566 1.18617 1.20172 1.21317 1.22573 1.23625 1.24669 1.25407 1.27021 1.27788 1.27885 1.29730 1.30508 1.32174 1.34331 1.35234 1.35953 1.37050 1.39300 1.40511 1.42419 1.42689 1.46927 1.49705 1.51326 1.53237 1.55096 1.55534 1.57879 1.58982 1.60000 1.61202 1.62609 1.62819 1.63243 1.63491 1.64043 1.64858 1.66487 1.67413 1.69692 1.71121 1.73010 1.75029 1.75727 1.76935 1.77248 1.78795 1.81720 1.82593 1.83864 1.84724 1.85810 1.86187 1.86544 1.87773 1.87920 1.88472 1.88703 1.89362 1.89982 1.90676 1.91361 1.91988 1.92392 1.92855 1.93089 1.93919 1.94135 1.94379 1.94998 1.95222 1.96413 1.97566 1.98077 1.99479 2.00815 2.00904 2.01694 2.02454 2.04738 2.05289 2.05429 2.07212 2.07599 2.08259 2.08820 2.09296 2.09913 2.10571 2.10882 2.12476 2.14053 2.15999 2.16333 2.20654 2.23303 2.26411 2.28081 2.28714 2.29733 2.30681 2.31171 2.31199 2.32534 2.34787 2.35763 2.38438 2.38479 2.39576 2.40745 2.43646 2.43917 2.44374 2.44681 2.46771 2.48381 2.50124 2.51117 2.51650 2.52174 2.52990 2.53127 2.54747 2.54933 2.56662 2.68732 2.70731 2.71771 2.72075 2.72790 2.73257 2.73824 2.74600 2.75616 2.75896 2.77606 2.79134 2.80201 2.80477 2.81794 2.82354 2.82919 2.82973 2.83974 2.87356 2.88072 2.92669 2.96753 2.97209 2.98263 2.98524 2.99050 2.99703 3.00318 3.00836 3.02483 3.03148 3.05999 3.06961 3.07413 3.09965 3.11429 3.11742 3.18854 3.19236 3.22567 3.22941 3.24171 3.24463 3.26604 3.27434 3.31596 3.40233 3.47329 3.73020 -14.45466 -14.43300 -14.43292 -14.42729 -10.32356 -10.32315 -10.31999 -10.31988 -10.31435 -10.31423 -10.31304 -10.31299 -10.30883 -10.29011 -10.28982 -10.27019 -6.86902 -1.03173 -1.01302 -1.00076 -0.98830 -0.87180 -0.83652 -0.80418 -0.79515 -0.79279 -0.79074 -0.74429 -0.71249 -0.70048 -0.69656 -0.67317 -0.63306 -0.59524 -0.57681 -0.55737 -0.55503 -0.55265 -0.55117 -0.54644 -0.54199 -0.54043 -0.53223 -0.52343 -0.50433 -0.50244 -0.47898 -0.47660 -0.47281 -0.46955 -0.46492 -0.46319 -0.45341 -0.44753 -0.44457 -0.44255 -0.44086 -0.43975 -0.42476 -0.41958 -0.35172 -0.32417 -0.32296 -0.29274 -0.28497 0.04054 0.08090 0.11172 0.13290 0.13755 0.14931 0.15814 0.16422 0.17408 0.18006 0.18581 0.18759 0.19138 0.19382 0.20231 0.20992 0.21181 0.21436 0.22306 0.22393 0.23218 0.23576 0.24410 0.24540 0.25059 0.25196 0.25945 0.26442 0.26937 0.27401 0.28145 0.29381 0.30623 0.32406 0.32647 0.32821 0.33824 0.34383 0.35657 0.36708 0.38092 0.39987 0.40317 0.43477 0.45898 0.46034 0.48448 0.48819 0.50097 0.50553 0.51656 0.52405 0.53328 0.53933 0.54447 0.55459 0.56423 0.57597 0.57880 0.58255 0.58396 0.58970 0.60281 0.61415 0.62825 0.64025 0.65139 0.65346 0.66225 0.67411 0.67823 0.68745 0.69371 0.69726 0.71223 0.71743 0.71946 0.72531 0.72841 0.73476 0.74085 0.74482 0.74733 0.75290 0.75479 0.75785 0.75878 0.76361 0.76693 0.77582 0.77799 0.77948 0.78694 0.79414 0.79672 0.79951 0.80595 0.81194 0.81477 0.82335 0.82808 0.83247 0.83843 0.84791 0.86113 0.86196 0.87283 0.87830 0.88276 0.90091 0.90722 0.91890 0.92557 0.94881 0.96323 0.97614 0.99517 1.01233 1.01571 1.03650 1.05167 1.05633 1.06669 1.07672 1.10456 1.12452 1.14776 1.17603 1.18654 1.20261 1.21389 1.22641 1.23732 1.24785 1.25491 1.27158 1.27916 1.27991 1.30107 1.30656 1.32439 1.34595 1.35627 1.36525 1.37713 1.39377 1.40925 1.42795 1.42988 1.47590 1.49866 1.51472 1.53400 1.55236 1.55639 1.57889 1.59026 1.60097 1.61217 1.62622 1.62837 1.63281 1.63551 1.64106 1.64900 1.66553 1.67490 1.69742 1.71300 1.73130 1.75064 1.75792 1.77099 1.77363 1.78856 1.82066 1.82971 1.83892 1.85692 1.85874 1.86257 1.87105 1.87900 1.88123 1.88614 1.88737 1.89545 1.90078 1.90732 1.91504 1.92048 1.92616 1.92907 1.93333 1.93965 1.94189 1.94417 1.95109 1.95412 1.96472 1.97628 1.98107 1.99544 2.00862 2.01053 2.01949 2.02612 2.05060 2.05623 2.05818 2.07241 2.07681 2.08431 2.08904 2.09448 2.10056 2.10636 2.10941 2.12876 2.14130 2.16208 2.17124 2.21006 2.23577 2.26377 2.28102 2.28977 2.29760 2.30735 2.31205 2.32312 2.32721 2.34927 2.35909 2.38465 2.38501 2.39629 2.40809 2.43842 2.44565 2.44981 2.45133 2.46783 2.48405 2.50775 2.51374 2.51897 2.52321 2.53021 2.53142 2.54764 2.55868 2.56700 2.69050 2.71060 2.71847 2.72157 2.72948 2.73278 2.73982 2.74638 2.75655 2.75960 2.77904 2.79772 2.80323 2.80750 2.81826 2.82735 2.83126 2.83967 2.84636 2.87460 2.88217 2.92790 2.96765 2.97229 2.98272 2.98562 2.99069 2.99927 3.00403 3.00882 3.02574 3.03233 3.06261 3.07325 3.07569 3.10216 3.11481 3.11883 3.19028 3.19615 3.22604 3.23011 3.24187 3.24470 3.26605 3.27440 3.31736 3.40327 3.47684 3.73351 2-A. -5.92441979e-01 7.43409851e-01 2.02529583e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -1.5058 1.8896 0.5148 2.4704 -110.2037 -106.6573 -103.2113 -2.0927 -2.8137 -3.9520 -3.5129 0.0335 3.4795 -2.0927 -2.8137 -3.9520 -29.2625 15.0337 1.9207 5.8971 8.6120 -7.4140 -4.8899 7.3164 11.1598 1.9107 -3562.5108 -1614.1315 -1281.0822 -11.8630 -61.9382 -29.9101 -36.7102 6.2791 1.0953 -889.2707 -811.9598 -476.9846 -29.0749 -12.8373 12.9706 (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)|(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)|(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)|(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)|(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)|Beta|Orbitals: (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)|(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)|(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)|(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)|(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)|(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)|(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 2-A -716.0926624 0.779841 0. 0.75056 8.187E-9 2.526E-6 -2.6117876,0.0248794,2.5869082,1.5558803,-2.0919538,2.9382364 C01 [X(C12H26B1N4)] 0.592442 0.7434099 -0.2025296 0.000000973 0.000003512 0.000005635 -0.000001337 -0.000000527 -0.000000083 -0.000001311 0.000002646 0.000000897 0.000000885 0.000001618 -0.000000451 -0.000000247 0.000003975 0.000000779 -0.000000159 -0.000007213 -0.000001967 -0.000001111 0.000001379 0.000001710 -0.000000827 -0.000000862 -0.000000563 -0.000000850 0.000000036 0.000001440 -0.000000264 0.000002692 0.000000261 0.000001405 0.000000646 0.000000069 -0.000002206 0.000003717 -0.000007624 0.000003425 0.000003783 0.000009532 0.000000252 -0.000001286 0.000004131 -0.000003458 -0.000002792 -0.000004912 0.000001884 -0.000001700 -0.000000220 -0.000000406 -0.000001569 0.000000664 0.000001427 0.000000778 -0.000001183 0.000001056 -0.000005159 -0.000003754 0.000000168 -0.000001371 -0.000000553 0.000000324 -0.000001559 -0.000001074 -0.000001294 0.000001824 0.000000211 -0.000000006 -0.000000210 -0.000006497 -0.000000494 0.000001396 0.000002791 0.000001614 0.000002571 0.000000276 -0.000000234 0.000001139 -0.000000110 0.000002972 0.000001034 -0.000002434 0.000001448 -0.000000788 -0.000001147 0.000000647 0.000000348 -0.000002155 -0.000000264 -0.000000026 -0.000001159 0.000001879 0.000000707 -0.000000067 0.000002413 -0.000000608 0.000002219 -0.000001832 0.000006079 -0.000001765 -0.000001184 -0.000001666 0.000001132 -0.000000566 0.000001487 0.000001871 -0.000000057 -0.000006528 0.000001847 -0.000007652 -0.000006832 -0.000001395 -0.000000424 0.000001292 0.000001764 -0.000000494 0.000000797 0.000000403 0.000001343 -0.000000892 -0.000001873 -0.000000421 0.000000152 -0.000000658 0.000001002 -0.000002915 0.000002099 0.000001980 0.000000896 0.000001912 210.96619999999996 AuxInfo=1/0/N:15,19,23,27,3,2,4,1,5,12,13,14,6;32,36,37,33/E:(1,2,3,4)(6,7)(8,9)(11,12);(1,2,3)/CRV:5.3,6.3,7.3,8.3,9.3;/rA:43nC3C3C3C3C3NHHHHHBNNCHHHCHHHCHHHCHHHHCNHHCCHHHHHH/rB:s1;s2;s3;s4;s1s5;s3;s1;s2;s4;s5;s6;s12;s12;s13;s15;s15;s15;s13;s19;s19;s19;s14;s23;s23;s23;s14;s27;s27;s27;;s31;s32;s32;s32;s33;s33;s36;s36;s36;s37;s37;s37;/rC:-1.7044,-1.1142,-.7855;-2.7621,-1.9621,-.6254;-3.8076,-1.6678,.2854;-3.6993,-.4505,1.0047;-2.6296,.379,.8314;-1.5869,.0781,-.0565;-4.6557,-2.3382,.4191;-.8844,-1.3284,-1.4696;-2.7802,-2.8798,-1.2169;-4.4789,-.1464,1.7063;-2.5385,1.3306,1.354;-.4241,.9719,-.2089;.1172,1.1797,-1.5182;.1168,1.6002,.9571;-.678,1.1148,-2.7237;-.603,2.0592,-3.2939;-.3472,.3001,-3.3955;-1.7362,.9496,-2.4855;1.5048,1.49,-1.7666;1.9297,.791,-2.5111;1.6493,2.5142,-2.1612;2.0968,1.3871,-.8485;.0252,1.0324,2.2831;1.0217,.995,2.7582;-.6314,1.625,2.9483;-.3675,.0083,2.2432;.7842,2.8804,.9304;.3338,3.5678,1.6698;1.8617,2.8007,1.1743;.6886,3.3483,-.0573;1.2627,-1.0828,-.5288;1.6374,-1.9451,.0654;2.9958,-1.7652,.5194;1.5599,-2.8453,-.5638;.9581,-2.0767,.9214;3.1168,-.6991,1.4821;3.9246,-1.6324,-.5758;2.4773,-.9038,2.3543;4.1559,-.6232,1.8374;2.8194,.297,1.0781;4.957,-1.5802,-.1969;3.8552,-2.5076,-1.2401;3.7443,-.7239,-1.1965; Gaussian 16 GINC-NODO01 CECILIA coments ES64L-G16RevC.02 123 C1[X(C12H26BN4)] UwB97XD def2SVP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk UwB97XD/def2SVP Freq 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 0 210.96619999999996 AuxInfo=1/0/N:15,19,23,27,3,2,4,1,5,12,13,14,6;32,36,37,33/E:(1,2,3,4)(6,7)(8,9)(11,12);(1,2,3)/CRV:5.3,6.3,7.3,8.3,9.3;/rA:43nC3C3C3C3C3NHHHHHBNNCHHHCHHHCHHHCHHHHCNHHCCHHHHHH/rB:s1;s2;s3;s4;s1s5;s3;s1;s2;s4;s5;s6;s12;s12;s13;s15;s15;s15;s13;s19;s19;s19;s14;s23;s23;s23;s14;s27;s27;s27;;s31;s32;s32;s32;s33;s33;s36;s36;s36;s37;s37;s37;/rC:-1.7044,-1.1142,-.7855;-2.7621,-1.9621,-.6254;-3.8076,-1.6678,.2854;-3.6993,-.4505,1.0047;-2.6296,.379,.8314;-1.5869,.0781,-.0565;-4.6557,-2.3382,.4191;-.8844,-1.3284,-1.4696;-2.7802,-2.8798,-1.2169;-4.4789,-.1464,1.7063;-2.5385,1.3306,1.354;-.4241,.9719,-.2089;.1172,1.1797,-1.5182;.1168,1.6002,.9571;-.678,1.1148,-2.7237;-.603,2.0592,-3.2939;-.3472,.3001,-3.3955;-1.7362,.9496,-2.4855;1.5048,1.49,-1.7666;1.9297,.791,-2.5111;1.6493,2.5142,-2.1612;2.0968,1.3871,-.8485;.0252,1.0324,2.2831;1.0217,.995,2.7582;-.6314,1.625,2.9483;-.3675,.0083,2.2432;.7842,2.8804,.9304;.3338,3.5678,1.6698;1.8617,2.8007,1.1743;.6886,3.3483,-.0573;1.2627,-1.0828,-.5288;1.6374,-1.9451,.0654;2.9958,-1.7652,.5194;1.5599,-2.8453,-.5638;.9581,-2.0767,.9214;3.1168,-.6991,1.4821;3.9246,-1.6324,-.5758;2.4773,-.9038,2.3543;4.1559,-.6232,1.8374;2.8194,.297,1.0781;4.957,-1.5802,-.1969;3.8552,-2.5076,-1.2401;3.7443,-.7239,-1.1965; coments Redundant internal coordinates found in file. (old form). 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 12 12 12 12 12 14 1 1 1 1 1 11 14 14 12 1 1 1 12 1 1 1 12 1 1 1 12 1 1 1 1 12 14 1 1 12 12 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 11.0093053 14.0030740 14.0030740 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 14.0030740 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 2 1 1 1 1 1 3 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 0 2 1 1 0 0 1 1 1 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 2.7500000 4.5500000 4.5500000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 4.5500000 1.0000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "80_a_TMA.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 1 1 1 2 2 3 3 4 4 5 5 6 8 12 12 13 13 14 14 15 15 15 19 19 19 22 23 23 23 24 27 27 27 31 32 32 32 33 33 36 36 36 37 37 37 2 6 8 3 9 4 7 5 10 6 11 12 31 13 14 15 19 23 27 16 17 18 20 21 22 40 24 25 26 38 28 29 30 32 33 34 35 36 37 38 39 40 41 42 43 1.365 1.4024 1.0892 1.4175 1.092 1.4181 1.0893 1.3646 1.092 1.4022 1.0895 1.4746 2.3569 1.4319 1.4307 1.4456 1.4434 1.4454 1.444 1.1057 1.1066 1.0972 1.106 1.1071 1.0972 2.3285 1.1046 1.1067 1.0975 2.4264 1.1055 1.1076 1.0971 1.1122 1.4436 1.1011 1.1007 1.4416 1.4421 1.1007 1.1007 1.1153 1.1009 1.101 1.1149 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 1 6 6 13 12 12 15 12 12 23 13 13 13 16 16 17 13 13 13 20 20 21 19 14 14 14 24 24 25 23 14 14 14 28 28 29 8 31 31 31 33 33 34 32 32 36 33 33 33 38 38 39 33 33 33 41 41 42 24 22 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 8 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 19 19 19 19 19 19 22 23 23 23 23 23 23 24 27 27 27 27 27 27 31 32 32 32 32 32 32 33 33 33 36 36 36 36 36 36 37 37 37 37 37 37 38 40 6 8 8 3 9 9 4 7 7 5 10 10 6 11 11 5 12 12 31 13 14 14 15 19 19 23 27 27 16 17 18 17 18 18 20 21 22 21 22 22 40 24 25 26 25 26 26 38 28 29 30 29 30 30 32 33 34 35 34 35 35 36 37 37 38 39 40 39 40 40 41 42 43 42 43 43 36 36 122.1441 122.3354 115.5057 121.1903 118.1219 120.6872 116.6056 121.6922 121.6999 121.1443 120.6901 118.1621 122.2003 122.3837 115.3998 116.6988 121.8476 121.4533 114.499 118.7244 118.6931 122.5823 123.232 123.5005 113.2638 123.4471 123.3025 113.2377 110.752 112.0167 110.8702 107.1856 107.8147 108.0206 110.4449 112.6858 110.7648 107.1315 107.2605 108.3339 154.6374 110.5314 112.2482 110.8493 107.1478 107.8718 108.0099 119.7407 110.5256 112.4423 110.76 107.0845 107.5423 108.2878 116.0603 112.8562 107.7523 107.4784 110.3546 110.5512 107.6498 112.4057 112.2558 112.644 110.051 110.226 113.3359 107.7901 107.3542 107.8871 110.2995 110.1411 113.1833 107.7238 107.7375 107.5599 109.5642 143.1886 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 6 6 8 8 2 2 8 8 2 6 1 1 9 9 2 2 7 7 3 3 10 10 4 4 11 11 1 1 5 5 1 6 6 14 14 6 6 13 13 12 12 12 19 19 19 12 12 12 15 15 15 12 12 12 27 27 27 12 12 12 23 23 23 13 20 21 19 14 25 26 23 8 8 8 31 31 34 34 35 35 32 32 32 37 37 37 32 32 32 36 36 36 33 39 40 33 38 39 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 6 6 6 6 8 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 19 19 19 22 23 23 23 24 31 31 31 32 32 32 32 32 32 33 33 33 33 33 33 33 33 33 33 33 33 36 36 36 36 36 36 2 2 2 2 6 6 6 6 8 8 3 3 3 3 4 4 4 4 5 5 5 5 6 6 6 6 12 12 12 12 31 13 13 13 13 14 14 14 14 15 15 15 15 15 15 19 19 19 19 19 19 23 23 23 23 23 23 27 27 27 27 27 27 22 22 22 40 24 24 24 38 32 32 32 33 33 33 33 33 33 36 36 36 36 36 36 37 37 37 37 37 37 38 38 38 40 40 40 3 9 3 9 5 12 5 12 31 31 4 7 4 7 5 10 5 10 6 11 6 11 1 12 1 12 13 14 13 14 32 15 19 15 19 23 27 23 27 16 17 18 16 17 18 20 21 22 20 21 22 24 25 26 24 25 26 28 29 30 28 29 30 40 40 40 36 38 38 38 36 33 34 35 36 37 36 37 36 37 38 39 40 38 39 40 41 42 43 41 42 43 24 24 24 22 22 22 0.5895 -179.1443 179.1292 -0.6046 -1.4064 178.3739 179.9607 -0.259 -130.7621 47.8679 0.5126 179.9594 -179.7605 -0.3137 -0.7596 178.543 179.7937 -0.9037 -0.0858 178.385 -179.4055 -0.9348 1.1545 -178.6267 -177.4159 2.8028 39.6188 -140.5439 -140.6112 39.2261 82.1528 29.5354 -151.2186 -150.2952 28.9508 27.7799 -150.8333 -152.3895 28.9974 123.0808 -117.3129 3.4372 -56.2348 63.3715 -175.8783 127.5467 -112.6805 8.8607 -53.1398 66.633 -171.8258 128.2217 -112.2166 8.6642 -53.0397 66.522 -172.5972 127.0511 -113.3424 7.966 -51.6895 67.917 -170.7747 48.5709 -72.0262 172.6386 41.3527 -85.9603 151.4469 35.3774 90.7631 175.3872 53.2947 -62.4636 66.747 -61.473 -172.6357 59.1442 -53.6587 178.1213 58.6819 177.4387 -61.5345 -173.3026 -54.5458 66.481 -175.358 -56.5813 63.8597 56.5478 175.3245 -64.2345 -126.3585 113.4012 -2.5894 -2.7179 -124.4553 119.6181 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 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 -- analytic derivatives used. 0.00027 0.00038 0.00080 0.00099 0.00239 0.00250 0.00291 0.00307 0.00331 0.00356 0.00437 0.00469 0.00475 0.00581 0.00695 0.00797 0.00925 0.01046 0.01146 0.01187 0.01289 0.01469 0.01757 0.02077 0.02158 0.02316 0.02480 0.02603 0.02765 0.03271 0.03989 0.04107 0.04684 0.05067 0.05154 0.05299 0.05397 0.05856 0.06069 0.06141 0.06171 0.06183 0.06215 0.06225 0.06264 0.07244 0.07404 0.08318 0.08857 0.09794 0.10287 0.10532 0.10711 0.11352 0.11769 0.12319 0.12542 0.12851 0.12929 0.13012 0.13087 0.13368 0.13696 0.14360 0.15631 0.15857 0.15983 0.16403 0.16631 0.16980 0.17182 0.17707 0.17752 0.18106 0.18946 0.19175 0.20465 0.20915 0.22304 0.23685 0.25785 0.28351 0.29497 0.30414 0.30605 0.30769 0.31829 0.32158 0.32229 0.32448 0.32510 0.32558 0.32742 0.32851 0.33392 0.33744 0.34010 0.34165 0.34237 0.34302 0.34479 0.34614 0.35145 0.35413 0.35472 0.36031 0.36302 0.36540 0.36805 0.37219 0.37221 0.37417 0.38107 0.38382 0.38814 0.39383 0.39742 0.39943 0.41197 0.43873 0.44138 0.47064 0.56064 Angle between quadratic step and forces= 78.88 degrees. 1 2 0.00056202 0.00000033 0.00000020 0.00000006 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 2.57949 2.65014 2.05831 2.67864 2.06357 2.67981 2.05849 2.57875 2.06356 2.64976 2.05883 2.78652 4.45396 2.70588 2.70367 2.73186 2.72767 2.73148 2.72872 2.08946 2.09118 2.07334 2.09009 2.09212 2.07350 4.40021 2.08739 2.09137 2.07401 4.58525 2.08904 2.09303 2.07317 2.10182 2.72794 2.08071 2.07995 2.72425 2.72525 2.08009 2.08009 2.10768 2.08045 2.08050 2.10692 2.13182 2.13516 2.01596 2.11517 2.06162 2.10639 2.03515 2.12393 2.12406 2.11437 2.10644 2.06232 2.13280 2.13600 2.01411 2.03678 2.12664 2.11976 1.99838 2.07213 2.07159 2.13946 2.15080 2.15549 1.97683 2.15456 2.15204 1.97637 1.93299 1.95506 1.93505 1.87074 1.88172 1.88532 1.92763 1.96674 1.93321 1.86980 1.87205 1.89078 2.69893 1.92914 1.95910 1.93469 1.87008 1.88272 1.88513 2.08987 1.92904 1.96249 1.93313 1.86898 1.87697 1.88998 2.02563 1.96971 1.88063 1.87585 1.92605 1.92948 1.87884 1.96185 1.95923 1.96601 1.92075 1.92381 1.97808 1.88129 1.87368 1.88298 1.92509 1.92232 1.97542 1.88014 1.88037 1.87728 1.91226 2.49911 0.01029 -3.12666 3.12639 -0.01055 -0.02455 3.11321 3.14091 -0.00452 -2.28223 0.83545 0.00895 3.14088 -3.13741 -0.00548 -0.01326 3.11616 3.13799 -0.01577 -0.00150 3.11341 -3.13122 -0.01631 0.02015 -3.11762 -3.09649 0.04892 0.69148 -2.45295 -2.45413 0.68462 1.43384 0.51549 -2.63926 -2.62315 0.50529 0.48485 -2.63254 -2.65970 0.50610 2.14816 -2.04750 0.05999 -0.98148 1.10604 -3.06966 2.22611 -1.96665 0.15465 -0.92746 1.16296 -2.99893 2.23789 -1.95855 0.15122 -0.92572 1.16103 -3.01239 2.21746 -1.97820 0.13903 -0.90215 1.18537 -2.98058 0.84772 -1.25709 3.01311 0.72174 -1.50029 2.64325 0.61745 1.58412 3.06108 0.93017 -1.09020 1.16495 -1.07291 -3.01306 1.03226 -0.93652 3.10880 1.02419 3.09689 -1.07398 -3.02470 -0.95200 1.16031 -3.06057 -0.98753 1.11456 0.98695 3.05999 -1.12110 -2.20537 1.97923 -0.04519 -0.04744 -2.17216 2.08773 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00049 -0.00002 0.00000 0.00002 -0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00019 0.00000 0.00000 -0.00000 -0.00084 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00001 0.00002 -0.00003 -0.00013 0.00002 -0.00002 0.00000 0.00000 0.00002 -0.00002 -0.00001 -0.00000 0.00002 -0.00003 0.00001 0.00000 0.00000 0.00001 0.00000 0.00002 -0.00003 -0.00001 0.00001 0.00002 -0.00001 0.00010 0.00003 -0.00001 0.00001 -0.00003 0.00001 -0.00001 0.00091 -0.00002 0.00002 -0.00001 -0.00001 0.00001 0.00001 -0.00011 -0.00002 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00002 -0.00001 0.00003 0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00002 0.00001 0.00001 0.00000 -0.00001 -0.00004 0.00003 0.00067 0.00018 -0.00002 -0.00001 0.00001 0.00002 0.00009 0.00012 0.00006 0.00009 -0.00030 -0.00027 -0.00005 0.00001 -0.00006 -0.00001 0.00005 0.00006 -0.00001 0.00001 0.00003 0.00005 0.00001 0.00004 -0.00010 -0.00013 -0.00012 -0.00015 0.00013 0.00015 0.00016 0.00018 -0.00003 -0.00027 0.00006 -0.00028 0.00005 -0.00003 -0.00008 -0.00002 -0.00006 0.00050 0.00050 0.00051 0.00020 0.00020 0.00021 -0.00044 -0.00043 -0.00048 -0.00014 -0.00013 -0.00017 -0.00014 -0.00016 -0.00018 -0.00010 -0.00012 -0.00014 0.00025 0.00024 0.00025 0.00021 0.00020 0.00022 0.00162 0.00159 0.00157 -0.00233 0.00055 0.00056 0.00058 -0.00124 -0.00080 -0.00081 -0.00082 0.00020 0.00015 0.00020 0.00015 0.00021 0.00016 0.00005 0.00006 0.00004 0.00008 0.00009 0.00007 -0.00003 -0.00003 0.00001 -0.00007 -0.00008 -0.00003 0.00109 0.00108 0.00110 0.00046 0.00044 0.00046 0.00000 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00049 -0.00002 0.00001 0.00002 -0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00019 0.00000 0.00000 -0.00000 -0.00084 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00001 0.00002 -0.00003 -0.00013 0.00002 -0.00002 0.00000 0.00000 0.00002 -0.00002 -0.00001 -0.00000 0.00002 -0.00003 0.00001 0.00000 0.00000 0.00001 0.00000 0.00002 -0.00003 -0.00001 0.00001 0.00002 -0.00001 0.00010 0.00003 -0.00001 0.00001 -0.00003 0.00001 -0.00001 0.00091 -0.00002 0.00002 -0.00001 -0.00001 0.00001 0.00001 -0.00011 -0.00002 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00002 -0.00001 0.00003 0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00002 0.00001 0.00001 0.00000 -0.00001 -0.00004 0.00003 0.00067 0.00018 -0.00002 -0.00001 0.00001 0.00002 0.00009 0.00012 0.00006 0.00009 -0.00030 -0.00027 -0.00005 0.00001 -0.00006 -0.00001 0.00005 0.00006 -0.00001 0.00001 0.00003 0.00005 0.00001 0.00004 -0.00010 -0.00013 -0.00012 -0.00015 0.00013 0.00015 0.00016 0.00018 -0.00003 -0.00027 0.00006 -0.00028 0.00005 -0.00003 -0.00008 -0.00002 -0.00006 0.00050 0.00050 0.00051 0.00020 0.00020 0.00021 -0.00044 -0.00043 -0.00047 -0.00014 -0.00013 -0.00017 -0.00014 -0.00016 -0.00018 -0.00010 -0.00012 -0.00014 0.00025 0.00024 0.00025 0.00021 0.00020 0.00022 0.00162 0.00159 0.00157 -0.00233 0.00055 0.00056 0.00058 -0.00124 -0.00080 -0.00081 -0.00082 0.00020 0.00015 0.00020 0.00015 0.00021 0.00016 0.00005 0.00006 0.00004 0.00008 0.00009 0.00007 -0.00003 -0.00003 0.00001 -0.00007 -0.00008 -0.00003 0.00109 0.00108 0.00110 0.00046 0.00044 0.00046 2.57949 2.65013 2.05831 2.67864 2.06357 2.67981 2.05850 2.57875 2.06356 2.64976 2.05883 2.78653 4.45445 2.70585 2.70367 2.73187 2.72766 2.73147 2.72872 2.08945 2.09118 2.07333 2.09009 2.09211 2.07349 4.40002 2.08740 2.09138 2.07400 4.58441 2.08903 2.09303 2.07317 2.10182 2.72793 2.08071 2.07995 2.72423 2.72524 2.08009 2.08009 2.10769 2.08045 2.08050 2.10692 2.13182 2.13515 2.01596 2.11517 2.06162 2.10639 2.03515 2.12393 2.12406 2.11437 2.10644 2.06232 2.13279 2.13601 2.01410 2.03679 2.12666 2.11973 1.99826 2.07215 2.07156 2.13947 2.15080 2.15551 1.97681 2.15455 2.15203 1.97639 1.93296 1.95507 1.93505 1.87074 1.88173 1.88532 1.92765 1.96671 1.93320 1.86981 1.87207 1.89077 2.69903 1.92917 1.95909 1.93469 1.87005 1.88272 1.88512 2.09078 1.92902 1.96251 1.93312 1.86897 1.87698 1.88998 2.02553 1.96969 1.88063 1.87586 1.92606 1.92948 1.87885 1.96187 1.95922 1.96604 1.92077 1.92382 1.97808 1.88129 1.87369 1.88297 1.92510 1.92233 1.97542 1.88013 1.88034 1.87731 1.91292 2.49930 0.01027 -3.12667 3.12641 -0.01053 -0.02445 3.11334 3.14097 -0.00443 -2.28253 0.83518 0.00890 3.14089 -3.13748 -0.00548 -0.01321 3.11622 3.13798 -0.01577 -0.00147 3.11345 -3.13120 -0.01628 0.02005 -3.11775 -3.09661 0.04877 0.69161 -2.45281 -2.45397 0.68480 1.43381 0.51522 -2.63920 -2.62343 0.50533 0.48482 -2.63261 -2.65972 0.50604 2.14867 -2.04700 0.06050 -0.98128 1.10624 -3.06945 2.22567 -1.96708 0.15417 -0.92760 1.16283 -2.99910 2.23775 -1.95871 0.15104 -0.92582 1.16090 -3.01253 2.21771 -1.97796 0.13929 -0.90195 1.18558 -2.98036 0.84935 -1.25551 3.01468 0.71941 -1.49974 2.64380 0.61803 1.58287 3.06028 0.92936 -1.09101 1.16516 -1.07276 -3.01286 1.03241 -0.93631 3.10896 1.02425 3.09695 -1.07394 -3.02462 -0.95191 1.16038 -3.06060 -0.98756 1.11458 0.98687 3.05991 -1.12113 -2.20428 1.98030 -0.04410 -0.04698 -2.17171 2.08819 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000004 0.000001 0.002368 0.000562 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -8.515387e-09 Optimization completed on the basis of negligible forces. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 1 1 1 2 2 3 3 4 4 5 5 6 8 12 12 13 13 14 14 15 15 15 19 19 19 22 23 23 23 24 27 27 27 31 32 32 32 33 33 36 36 36 37 37 37 2 6 8 3 9 4 7 5 10 6 11 12 31 13 14 15 19 23 27 16 17 18 20 21 22 40 24 25 26 38 28 29 30 32 33 34 35 36 37 38 39 40 41 42 43 1.365 1.4024 1.0892 1.4175 1.092 1.4181 1.0893 1.3646 1.092 1.4022 1.0895 1.4746 2.3569 1.4319 1.4307 1.4456 1.4434 1.4454 1.444 1.1057 1.1066 1.0972 1.106 1.1071 1.0972 2.3285 1.1046 1.1067 1.0975 2.4264 1.1055 1.1076 1.0971 1.1122 1.4436 1.1011 1.1007 1.4416 1.4421 1.1007 1.1007 1.1153 1.1009 1.101 1.1149 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 1 6 6 13 12 12 15 12 12 23 13 13 13 16 16 17 13 13 13 20 20 21 19 14 14 14 24 24 25 23 14 14 14 28 28 29 8 31 31 31 33 33 34 32 32 36 33 33 33 38 38 39 33 33 33 41 41 42 24 22 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 8 12 12 12 13 13 13 14 14 14 15 15 15 15 15 15 19 19 19 19 19 19 22 23 23 23 23 23 23 24 27 27 27 27 27 27 31 32 32 32 32 32 32 33 33 33 36 36 36 36 36 36 37 37 37 37 37 37 38 40 6 8 8 3 9 9 4 7 7 5 10 10 6 11 11 5 12 12 31 13 14 14 15 19 19 23 27 27 16 17 18 17 18 18 20 21 22 21 22 22 40 24 25 26 25 26 26 38 28 29 30 29 30 30 32 33 34 35 34 35 35 36 37 37 38 39 40 39 40 40 41 42 43 42 43 43 36 36 122.1441 122.3354 115.5057 121.1903 118.1219 120.6872 116.6056 121.6922 121.6999 121.1443 120.6901 118.1621 122.2003 122.3837 115.3998 116.6988 121.8476 121.4533 114.499 118.7244 118.6931 122.5823 123.232 123.5005 113.2638 123.4471 123.3025 113.2377 110.752 112.0167 110.8702 107.1856 107.8147 108.0206 110.4449 112.6858 110.7648 107.1315 107.2605 108.3339 154.6374 110.5314 112.2482 110.8493 107.1478 107.8718 108.0099 119.7407 110.5256 112.4423 110.76 107.0845 107.5423 108.2878 116.0603 112.8562 107.7523 107.4784 110.3546 110.5512 107.6498 112.4057 112.2558 112.644 110.051 110.226 113.3359 107.7901 107.3542 107.8871 110.2995 110.1411 113.1833 107.7238 107.7375 107.5599 109.5642 143.1886 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 6 6 8 8 2 2 8 8 2 6 1 1 9 9 2 2 7 7 3 3 10 10 4 4 11 11 1 1 5 5 1 6 6 14 14 6 6 13 13 12 12 12 19 19 19 12 12 12 15 15 15 12 12 12 27 27 27 12 12 12 23 23 23 13 20 21 19 14 25 26 23 8 8 8 31 31 34 34 35 35 32 32 32 37 37 37 32 32 32 36 36 36 33 39 40 33 38 1 1 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 6 6 6 6 8 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 19 19 19 22 23 23 23 24 31 31 31 32 32 32 32 32 32 33 33 33 33 33 33 33 33 33 33 33 33 36 36 36 36 36 2 2 2 2 6 6 6 6 8 8 3 3 3 3 4 4 4 4 5 5 5 5 6 6 6 6 12 12 12 12 31 13 13 13 13 14 14 14 14 15 15 15 15 15 15 19 19 19 19 19 19 23 23 23 23 23 23 27 27 27 27 27 27 22 22 22 40 24 24 24 38 32 32 32 33 33 33 33 33 33 36 36 36 36 36 36 37 37 37 37 37 37 38 38 38 40 40 3 9 3 9 5 12 5 12 31 31 4 7 4 7 5 10 5 10 6 11 6 11 1 12 1 12 13 14 13 14 32 15 19 15 19 23 27 23 27 16 17 18 16 17 18 20 21 22 20 21 22 24 25 26 24 25 26 28 29 30 28 29 30 40 40 40 36 38 38 38 36 33 34 35 36 37 36 37 36 37 38 39 40 38 39 40 41 42 43 41 42 43 24 24 24 22 22 0.5895 -179.1443 179.1292 -0.6046 -1.4064 178.3739 179.9607 -0.259 -130.7621 47.8679 0.5126 179.9594 -179.7605 -0.3137 -0.7596 178.543 179.7937 -0.9037 -0.0858 178.385 -179.4055 -0.9348 1.1545 -178.6267 -177.4159 2.8028 39.6188 -140.5439 -140.6112 39.2261 82.1528 29.5354 -151.2186 -150.2952 28.9508 27.7799 -150.8333 -152.3895 28.9974 123.0808 -117.3129 3.4372 -56.2348 63.3715 -175.8783 127.5467 -112.6805 8.8607 -53.1398 66.633 -171.8258 128.2217 -112.2166 8.6642 -53.0397 66.522 -172.5972 127.0511 -113.3424 7.966 -51.6895 67.917 -170.7747 48.5709 -72.0262 172.6386 41.3527 -85.9603 151.4469 35.3774 90.7631 175.3872 53.2947 -62.4636 66.747 -61.473 -172.6357 59.1442 -53.6587 178.1213 58.6819 177.4387 -61.5345 -173.3026 -54.5458 66.481 -175.358 -56.5813 63.8597 56.5478 175.3245 -64.2345 -126.3585 113.4012 -2.5894 -2.7179 -124.4553 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 385 A 368 A 368 607 385 66 65 1298.5662542628 43 43 43 1.00e+00 60 F 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 Grimme-D2 -0.0388354802 0.000000 1.365007 0.000000 2.424158 1.417474 0.000000 2.761316 2.412604 1.418092 0.000000 2.387443 2.760514 2.423811 1.364615 0.000000 1.402396 2.422179 2.845377 2.422312 1.402191 0.000000 3.414559 2.195039 1.089309 2.195679 3.414338 3.934680 0.000000 1.089210 2.154090 3.426424 3.849257 3.354944 2.113902 4.337029 0.000000 2.112074 1.091993 2.186687 3.417929 3.852021 3.394050 2.547083 2.462699 0.000000 3.852696 3.417738 2.187273 1.091990 2.112159 3.394299 2.547908 4.940039 4.347690 0.000000 3.354084 3.848345 3.426770 2.154460 1.089485 2.112735 4.337787 4.216489 4.939188 2.463930 0.000000 2.514634 3.774650 4.319746 3.771335 2.509634 1.474565 5.409006 2.663160 4.626325 4.621697 2.653655 0.000000 3.019453 4.354101 5.173478 4.856748 3.702258 2.500824 6.237704 2.701136 4.996534 5.768852 3.914644 1.431888 0.000000 3.704254 4.845891 5.150924 4.332480 3.008378 2.499419 6.211063 3.932916 5.761054 4.973213 2.698297 1.430719 2.510712 0.000000 3.127052 4.267680 5.156682 5.047696 4.121768 3.002468 6.133671 2.754005 4.758805 5.971757 4.487235 2.531601 1.445637 3.796785 0.000000 4.192275 5.287004 6.080326 5.862005 4.893679 3.920880 7.038951 3.857815 5.783355 6.699877 5.087167 3.275825 2.108352 4.335818 1.105694 0.000000 3.264132 4.315389 5.421812 5.582318 4.804460 3.568666 6.330494 2.578714 4.558236 6.580191 5.331187 3.257557 2.124584 4.566269 1.106604 1.780500 0.000000 2.674036 3.604211 4.338122 4.242138 3.482207 2.584950 5.269707 2.635768 4.167005 5.127828 3.940862 2.627734 2.103267 3.963384 1.097163 1.780060 1.783127 0.000000 4.247733 5.605829 6.511783 6.207088 5.007730 3.804813 7.575191 3.706675 6.144767 7.109368 5.109912 2.532843 1.443419 3.058896 2.412807 2.664495 2.738456 3.363486 0.000000 4.451303 5.757432 6.839737 6.751837 5.668261 4.347380 7.857791 3.673611 6.110041 7.728816 5.932444 3.297388 2.102869 3.996144 2.636310 2.938607 2.491444 3.669406 1.106025 0.000000 5.128875 6.469647 7.297432 6.886213 5.641300 4.564838 8.364010 4.654402 7.043268 7.719532 5.594175 3.238682 2.131140 3.592680 2.773343 2.561862 3.226767 3.743658 1.107100 1.780546 0.000000 4.550774 5.905557 6.743850 6.356536 5.116391 3.988810 7.815393 4.080053 6.490535 7.219295 5.132214 2.633686 2.100099 2.688066 3.360109 3.704144 3.693513 4.190855 1.097246 1.774097 1.787131 0.000000 4.125012 5.019531 5.096279 4.207733 3.095589 2.997263 6.061842 4.525848 5.951959 4.691422 2.743116 2.532959 3.805273 1.445437 5.056652 5.705428 5.737774 5.084231 4.335740 5.164253 4.958367 3.771499 0.000000 4.943528 5.874603 6.043792 5.239464 4.174274 3.945708 6.986729 5.187069 6.728335 5.715447 3.841801 3.300763 4.374947 2.104608 5.740672 6.356130 6.342373 5.924968 4.577377 5.350859 5.186777 3.783913 1.104602 0.000000 4.753490 5.493516 5.293545 4.182942 3.166512 3.512101 6.188572 5.320164 6.500752 4.414058 2.503081 3.230724 4.550604 2.127304 5.695093 6.257311 6.486933 5.585962 5.177984 6.087626 5.665599 4.681356 1.106707 1.779271 0.000000 3.495776 4.224429 4.298413 3.583981 2.692171 2.603968 5.217439 3.979811 5.112228 4.149182 2.692978 2.635307 3.969317 2.103108 5.098163 5.909406 5.646350 5.012036 4.666859 5.337912 5.454004 4.187203 1.097517 1.780107 1.783375 0.000000 5.009458 6.200575 6.495155 5.585914 4.233394 3.801268 7.555659 5.124291 7.106095 6.120815 3.690762 2.529953 3.054981 1.443978 4.313729 4.521446 5.162560 4.663593 3.118700 4.185850 3.231152 2.667836 2.412745 2.636731 2.766224 3.361436 0.000000 5.666050 6.740386 6.817583 5.731939 4.433266 4.341405 7.832004 5.942444 7.720258 6.079417 3.654453 3.292857 3.989119 2.103932 5.132647 5.271780 6.066251 5.329773 4.182971 5.266578 4.185317 3.769004 2.626793 2.877067 2.518103 3.673012 1.105471 0.000000 5.646643 6.877719 7.273123 6.443867 5.114140 4.562979 8.333952 5.619672 7.715806 7.012246 4.642713 3.237722 3.594526 2.129064 4.948469 5.156512 5.658271 5.455815 3.239514 4.198307 3.354528 2.479012 2.780129 2.544608 3.277902 3.729557 1.107584 1.779950 0.000000 5.115744 6.358500 6.744942 5.900183 4.540639 3.984036 7.818212 5.132307 7.222673 6.482757 4.059148 2.628405 2.676492 2.100395 3.737150 3.715620 4.637746 4.186854 2.653579 3.755161 2.458704 2.540793 3.358752 3.684613 3.707505 4.190885 1.097073 1.776717 1.786865 0.000000 2.978361 4.120881 5.168456 5.231905 4.374605 3.113048 6.123888 2.356934 4.477463 6.232057 4.880374 2.677541 2.722117 3.274043 3.662390 4.582357 3.566766 4.117371 2.865232 2.808068 3.968908 2.626407 3.729914 3.896154 4.796873 3.395953 4.250323 5.227311 4.282657 4.492954 0.000000 3.547108 4.453441 5.456456 5.621044 4.918882 3.808442 6.315256 3.015875 4.693914 6.583068 5.461510 3.582406 3.818785 3.959336 4.743720 5.686638 4.577882 5.125193 3.895273 3.769596 4.984267 3.485605 4.047544 4.034167 5.118980 3.546611 4.976110 5.887743 4.878813 5.379170 1.112233 0.000000 4.921274 5.873971 6.808150 6.840235 6.028341 4.973047 7.673622 4.382073 6.133471 7.739595 6.396018 4.440502 4.594660 4.450438 5.684109 6.489853 5.546833 6.228322 4.247911 4.105427 5.226055 3.551910 4.445435 4.065518 5.527211 4.174859 5.161597 6.070506 4.750060 5.639519 2.137340 1.443566 0.000000 3.701569 4.411753 5.560334 5.987844 5.467604 4.325054 6.313209 3.015915 4.389047 6.993165 6.157314 4.316629 4.381027 4.915121 5.035471 6.015435 4.642099 5.381361 4.499395 4.141479 5.593241 4.275822 5.049424 5.106233 6.092644 4.442703 5.968139 6.900782 5.915261 6.275132 1.787790 1.101063 2.098081 0.000000 3.305945 4.030682 4.825353 4.933891 4.348646 3.475188 5.642342 3.109923 4.380936 5.822700 4.901337 3.533024 4.154908 3.772126 5.113669 6.108295 5.097932 5.293918 4.499471 4.577088 5.572841 4.053000 3.520080 3.579563 4.509718 2.802136 4.960200 5.728061 4.966865 5.519200 1.784344 1.100662 2.100208 1.777270 0.000000 5.344067 6.371760 7.093538 6.837343 5.882827 5.009686 8.014301 5.011812 6.842183 7.619133 6.009856 4.264984 4.640029 3.816089 5.948137 6.652484 6.065423 6.481724 4.236122 4.424431 5.074698 3.290030 3.632847 2.981242 4.647597 3.636005 4.307940 5.097730 3.730793 4.964650 2.762087 2.397615 1.441608 3.349103 2.621493 0.000000 5.656761 6.695086 7.780135 7.875241 6.998891 5.794215 8.666636 4.900786 6.849959 8.833800 7.367160 5.082158 4.826255 5.224831 5.774498 6.443196 5.471142 6.508382 4.125820 3.687534 4.988423 3.540101 5.520867 5.142570 6.617203 5.390904 5.700544 6.706618 5.193381 5.962240 2.718508 2.395955 1.442140 2.657764 3.352511 2.399761 0.000000 5.233520 6.119704 6.660647 6.338568 5.481421 4.826442 7.528771 5.109150 6.655805 7.027304 5.581350 4.301967 4.990785 3.714109 6.310119 7.083085 6.518287 6.679329 4.863945 5.181186 5.723497 3.956143 3.125184 2.426408 4.051164 2.989579 4.383474 5.005899 3.936399 5.205419 3.133689 2.651225 2.092359 3.623069 2.395155 1.100736 3.348340 0.000000 6.439257 7.464399 8.180284 7.901090 6.932539 6.087611 9.088286 6.069395 7.907614 8.648976 6.990401 5.263870 5.551754 4.693922 6.869597 7.494835 6.965177 7.475202 4.947987 5.085811 5.667016 3.936392 4.472394 3.645514 5.404343 4.585316 4.946365 5.674632 4.174529 5.602275 3.765755 3.351165 2.094533 4.176469 3.630048 1.100736 2.625922 1.778654 0.000000 5.092075 6.257698 6.957417 6.561809 5.455230 4.555322 7.953331 4.780185 6.834801 7.338708 5.463609 3.554154 3.849884 3.002804 5.230115 5.825098 5.480881 5.820526 3.353081 3.730611 4.096040 2.328489 3.130556 2.557708 4.143583 3.405522 3.292065 4.150468 2.682359 3.890992 2.628541 2.729413 2.143838 3.762515 3.020492 1.115337 2.771175 1.785492 1.791577 0.000000 6.703595 7.740438 8.778289 8.812015 7.902723 6.752248 9.662200 5.983686 7.911596 9.732142 8.189023 5.955639 5.725991 5.905437 6.738045 7.331435 6.473079 7.512458 4.879290 4.488077 5.618120 4.172539 6.107273 5.554387 7.169102 6.068655 6.211301 7.166641 5.536616 6.521467 3.742399 3.349906 2.096051 3.643581 4.181867 2.642331 1.100924 3.621498 2.386638 3.117525 0.000000 5.749606 6.668187 7.858186 8.145032 7.394377 6.140339 8.672804 4.889459 6.645876 9.149545 7.895574 5.610949 5.258025 5.973048 5.989431 6.704426 5.494463 6.690884 4.667144 4.025446 5.561743 4.291145 6.293909 6.023576 7.399365 6.024535 6.570608 7.601212 6.162958 6.761559 3.042573 2.634297 2.094107 2.416632 3.640156 3.350594 1.100955 4.170186 3.621059 3.783197 1.778233 0.000000 5.478174 6.647812 7.753626 7.767104 6.779119 5.510481 8.704998 4.675990 6.871530 8.739663 7.085166 4.607267 4.108967 4.816461 5.026972 5.571696 4.756536 5.873569 3.200256 2.704826 3.975536 2.700311 5.387418 5.099744 6.468680 5.410698 5.126123 6.185961 4.646323 5.217139 2.594844 2.742819 2.142152 3.110128 3.752154 2.751296 1.114934 3.774425 3.063355 2.659219 1.789697 1.787695 0.000000 C12H26BN4(2) C1 1 C1 1 C1 1 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 0 210.96619999999996 AuxInfo=1/0/N:15,19,23,27,3,2,4,1,5,12,13,14,6;32,36,37,33/E:(1,2,3,4)(6,7)(8,9)(11,12);(1,2,3)/CRV:5.3,6.3,7.3,8.3,9.3;/rA:43nC3C3C3C3C3NHHHHHBNNCHHHCHHHCHHHCHHHHCNHHCCHHHHHH/rB:s1;s2;s3;s4;s1s5;s3;s1;s2;s4;s5;s6;s12;s12;s13;s15;s15;s15;s13;s19;s19;s19;s14;s23;s23;s23;s14;s27;s27;s27;;s31;s32;s32;s32;s33;s33;s36;s36;s36;s37;s37;s37;/rC:1.7044,-1.1142,.7855;2.7621,-1.9621,.6254;3.8076,-1.6678,-.2854;3.6993,-.4505,-1.0047;2.6296,.379,-.8314;1.5869,.0781,.0565;4.6557,-2.3382,-.4191;.8844,-1.3284,1.4696;2.7802,-2.8798,1.2169;4.4789,-.1464,-1.7063;2.5385,1.3306,-1.354;.4241,.9719,.2089;-.1172,1.1797,1.5182;-.1168,1.6002,-.9571;.678,1.1148,2.7237;.603,2.0592,3.2939;.3472,.3001,3.3955;1.7362,.9496,2.4855;-1.5048,1.49,1.7666;-1.9297,.791,2.5111;-1.6493,2.5142,2.1612;-2.0968,1.3871,.8485;-.0252,1.0324,-2.2831;-1.0217,.995,-2.7582;.6314,1.625,-2.9483;.3675,.0083,-2.2432;-.7842,2.8804,-.9304;-.3338,3.5678,-1.6698;-1.8617,2.8007,-1.1743;-.6886,3.3483,.0573;-1.2627,-1.0828,.5288;-1.6374,-1.9451,-.0654;-2.9958,-1.7652,-.5194;-1.5599,-2.8453,.5638;-.9581,-2.0767,-.9214;-3.1168,-.6991,-1.4821;-3.9246,-1.6324,.5758;-2.4773,-.9038,-2.3543;-4.1559,-.6232,-1.8374;-2.8194,.297,-1.0781;-4.957,-1.5802,.1969;-3.8552,-2.5076,1.2401;-3.7443,-.7239,1.1965; 0.5381048 0.3057149 0.2826031 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. One-electron integral symmetry used in STVInt 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= 384 383 384 384 384 MxSgAt= 43 MxSgA2= 43. 1 open 1 1 1 -716.092662368294 -716.092662368 1 0.7798 7.076317118356e+02 -4.254590620222e+03 1.532338827235e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3145728000 LenX= 3145421584 LenY= 3145272918 Requested convergence on RMS density matrix=1.00D-08 within 32 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.7798 Using compressed storage, NAtomX= 43. Will process 44 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111 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. 12976 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 3145728000 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 129 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 129 NMatS0= 129 NMatT0= 0 NMatD0= 129 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 132 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 129 vectors produced by pass 0 Test12= 3.96D-14 1.00D-09 XBig12= 1.52D+02 3.06D+00. AX will form 129 AO Fock derivatives at one time. 129 vectors produced by pass 1 Test12= 3.96D-14 1.00D-09 XBig12= 1.11D+01 5.57D-01. 129 vectors produced by pass 2 Test12= 3.96D-14 1.00D-09 XBig12= 4.27D-01 1.90D-01. 129 vectors produced by pass 3 Test12= 3.96D-14 1.00D-09 XBig12= 7.21D-03 1.85D-02. 129 vectors produced by pass 4 Test12= 3.96D-14 1.00D-09 XBig12= 6.18D-05 6.39D-04. 129 vectors produced by pass 5 Test12= 3.96D-14 1.00D-09 XBig12= 5.80D-07 5.35D-05. 118 vectors produced by pass 6 Test12= 3.96D-14 1.00D-09 XBig12= 5.84D-09 5.37D-06. 44 vectors produced by pass 7 Test12= 3.96D-14 1.00D-09 XBig12= 5.14D-11 6.38D-07. 7 vectors produced by pass 8 Test12= 3.96D-14 1.00D-09 XBig12= 3.93D-13 4.24D-08. 3 vectors produced by pass 9 Test12= 3.96D-14 1.00D-09 XBig12= 3.97D-15 3.90D-09. InvSVY: IOpt=1 It= 1 EMax= 7.11D-15 Solved reduced A of dimension 946 with 132 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 174.25 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 194.109 -25.829 167.120 -13.843 -11.187 161.534 190.441 -22.873 181.625 -14.107 -11.318 174.256 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 C C C C C N H H H H H B N N C H H H C H H H C H H H C H H H H C N H H C C H H H H H H 13 13 13 13 13 14 1 1 1 1 1 11 14 14 13 1 1 1 13 1 1 1 13 1 1 1 13 1 1 1 1 13 14 1 1 13 13 1 1 1 1 1 1 0.04725 -0.04826 0.09445 -0.04777 0.04657 0.04670 -0.00791 -0.00473 0.00156 0.00154 -0.00466 -0.00234 0.00976 0.01053 -0.00069 -0.00001 -0.00003 0.00009 0.00135 0.00036 0.00005 -0.00003 -0.00062 -0.00003 -0.00003 0.00011 0.00155 0.00038 0.00005 -0.00003 0.00001 0.00028 0.00029 0.00008 0.00004 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 53.11484 -54.25695 106.18429 -53.70726 52.35150 15.08882 -35.36805 -21.14274 6.95332 6.90078 -20.84437 -3.35463 3.15441 3.40226 -0.77154 -0.05550 -0.12054 0.38811 1.51894 1.60705 0.21936 -0.12619 -0.69322 -0.12245 -0.12183 0.48138 1.74381 1.67675 0.21970 -0.13092 0.03145 0.31855 0.09366 0.33658 0.17174 0.00533 0.00707 -0.00069 -0.00356 -0.00970 0.00355 0.00123 -0.00553 18.95270 -19.36023 37.88920 -19.16408 18.68032 5.38407 -12.62020 -7.54425 2.48112 2.46237 -7.43779 -1.19702 1.12557 1.21401 -0.27531 -0.01980 -0.04301 0.13849 0.54199 0.57344 0.07827 -0.04503 -0.24736 -0.04369 -0.04347 0.17177 0.62223 0.59831 0.07840 -0.04671 0.01122 0.11367 0.03342 0.12010 0.06128 0.00190 0.00252 -0.00024 -0.00127 -0.00346 0.00127 0.00044 -0.00197 17.71720 -18.09817 35.41927 -17.91481 17.46258 5.03309 -11.79751 -7.05246 2.31938 2.30185 -6.95293 -1.11898 1.05220 1.13487 -0.25736 -0.01851 -0.04021 0.12946 0.50666 0.53605 0.07317 -0.04209 -0.23123 -0.04084 -0.04064 0.16057 0.58167 0.55930 0.07329 -0.04367 0.01049 0.10626 0.03124 0.11227 0.05729 0.00178 0.00236 -0.00023 -0.00119 -0.00324 0.00118 0.00041 -0.00184 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 -0.046136 0.024425 -0.070170 0.017827 -0.059067 -0.086173 0.018344 0.008382 0.003780 0.000536 -0.017533 0.007326 -0.004972 0.003442 -0.001959 -0.001100 -0.000851 -0.004557 0.003659 0.001198 0.000530 0.002135 0.000926 0.000702 -0.000694 0.001466 -0.000267 -0.000363 0.000961 -0.000187 0.004926 0.002881 0.001699 0.001736 0.002636 0.001338 0.001002 0.001137 0.000806 0.001782 0.000686 0.000779 0.001131 -0.060980 0.013280 -0.088634 0.025748 -0.056537 -0.080130 -0.000587 -0.016066 -0.001196 0.003008 0.017220 0.008631 0.013670 0.005708 -0.000935 -0.000187 -0.001686 -0.000321 -0.001812 -0.000951 0.000003 -0.001042 -0.002383 -0.001257 -0.000784 -0.004682 0.002832 0.001094 0.000000 0.001369 -0.002042 -0.000906 -0.000735 -0.000268 -0.000945 -0.000758 -0.000469 -0.000807 -0.000452 -0.000918 -0.000324 -0.000327 -0.000574 0.107117 -0.037705 0.158803 -0.043575 0.115604 0.166303 -0.017757 0.007683 -0.002584 -0.003544 0.000313 -0.015957 -0.008698 -0.009149 0.002894 0.001287 0.002536 0.004878 -0.001847 -0.000247 -0.000533 -0.001094 0.001457 0.000554 0.001478 0.003216 -0.002565 -0.000730 -0.000961 -0.001183 -0.002884 -0.001974 -0.000965 -0.001468 -0.001690 -0.000579 -0.000532 -0.000330 -0.000354 -0.000864 -0.000362 -0.000452 -0.000557 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 0.116721 -0.047664 0.196026 -0.049221 0.110164 0.182195 -0.028919 0.012041 -0.003701 -0.004950 0.001237 0.003203 0.011524 0.013943 -0.001955 -0.000748 -0.000916 -0.000869 -0.001958 -0.000621 -0.001344 -0.001277 -0.002168 -0.000819 -0.001695 -0.000303 -0.003420 -0.001332 -0.001520 -0.001944 0.001358 0.001610 0.000391 0.001874 0.002397 0.000167 0.000308 0.000269 0.000064 -0.000233 0.000174 0.000425 0.000128 0.179598 -0.072131 0.307917 -0.059577 0.174837 0.277336 0.006935 -0.016008 -0.004653 -0.001527 0.008454 0.004363 -0.009500 -0.009439 -0.002299 -0.000874 -0.002345 -0.000388 -0.001971 -0.001495 -0.000995 -0.000611 0.002748 0.002014 0.001912 0.005248 0.000621 0.000354 0.000527 -0.000095 -0.001017 0.000174 0.000295 -0.000334 0.001894 0.000632 -0.000146 0.001059 0.000382 0.000630 -0.000019 -0.000250 -0.000330 0.169110 -0.059628 0.300458 -0.065482 0.170746 0.281529 0.020294 -0.000111 -0.001061 -0.002930 -0.014582 0.010009 -0.011850 -0.013008 0.002247 0.001886 0.000996 0.004779 0.000881 0.000174 0.000740 0.000183 -0.002168 -0.000631 -0.002426 -0.000286 -0.000542 -0.001022 -0.000459 0.000125 -0.000397 0.000001 0.000011 -0.000277 0.000864 0.000032 -0.000001 0.000151 0.000018 -0.000073 -0.000002 -0.000086 -0.000012 -0.6657 0.7459 -0.0237 -0.5612 -0.4794 0.6748 0.4919 0.4625 0.7377 -0.1705 -0.1624 0.3329 -22.883 -21.79 44.673 -8.165 -7.775 15.941 -7.633 -7.269 14.901 1 C 13 0.4969 0.4781 0.7242 0.0016 0.834 -0.5517 0.8678 -0.2753 -0.4137 -0.1266 0.0526 0.0739 -16.984 7.063 9.921 -6.06 2.52 3.54 -5.665 2.356 3.309 2 C 13 -0.3875 -0.6242 0.6784 0.777 -0.6172 -0.124 0.4961 0.4791 0.7241 -0.2935 -0.275 0.5685 -39.386 -36.907 76.293 -14.054 -13.169 27.223 -13.138 -12.311 25.448 3 C 13 0.4752 0.4782 0.7386 0.7016 0.3006 -0.646 -0.531 0.8252 -0.1926 -0.1243 0.0516 0.0727 -16.68 6.924 9.756 -5.952 2.471 3.481 -5.564 2.31 3.254 4 C 13 0.857 -0.4454 -0.2591 0.2141 0.7651 -0.6072 0.4687 0.4649 0.7511 -0.1692 -0.1612 0.3304 -22.702 -21.633 44.335 -8.101 -7.719 15.82 -7.573 -7.216 14.789 5 C 13 0.7789 -0.6197 -0.0962 -0.41 -0.6193 0.6696 0.4746 0.4821 0.7365 -0.2654 -0.2639 0.5293 -10.236 -10.178 20.414 -3.652 -3.632 7.284 -3.414 -3.395 6.809 6 N 14 -0.3874 -0.6255 0.6772 0.493 0.4801 0.7255 0.779 -0.615 -0.1224 -0.0405 4.0E-4 0.0401 -21.593 0.206 21.387 -7.705 0.073 7.631 -7.203 0.069 7.134 7 H 1 -0.4583 0.8557 -0.2401 0.5012 0.4719 0.7254 0.734 0.2121 -0.6452 -0.0225 -0.0034 0.0259 -11.996 -1.84 13.836 -4.281 -0.657 4.937 -4.002 -0.614 4.615 8 H 1 0.4982 0.4876 0.717 0.0563 0.807 -0.5879 0.8652 -0.3332 -0.3746 -0.0065 -7.0E-4 0.0072 -3.488 -0.364 3.852 -1.245 -0.13 1.375 -1.164 -0.121 1.285 9 H 1 0.4935 0.4796 0.7256 -0.6505 -0.3503 0.6739 -0.5774 0.8046 -0.1391 -0.0065 -5.0E-4 0.0071 -3.478 -0.292 3.77 -1.241 -0.104 1.345 -1.16 -0.097 1.258 10 H 1 0.8701 -0.1947 -0.4527 0.487 0.4806 0.7293 -0.0756 0.855 -0.513 -0.0222 -0.0037 0.0259 -11.849 -1.949 13.798 -4.228 -0.695 4.923 -3.952 -0.65 4.602 11 H 1 -0.1136 -0.3179 0.9413 0.8461 -0.5276 -0.076 0.5208 0.7878 0.3289 -0.0199 0.0049 0.0149 -3.401 0.845 2.556 -1.214 0.302 0.912 -1.134 0.282 0.852 12 B 11 0.5583 0.109 0.8225 0.71 -0.5757 -0.4056 0.4293 0.8104 -0.3988 -0.0167 -0.0089 0.0256 -0.645 -0.343 0.988 -0.23 -0.122 0.352 -0.215 -0.114 0.329 13 N 14 0.1061 0.4471 0.8882 0.7929 -0.5771 0.1958 0.6001 0.6834 -0.4157 -0.0168 -0.009 0.0259 -0.649 -0.349 0.997 -0.232 -0.124 0.356 -0.216 -0.116 0.333 14 N 14 0.8371 0.5354 0.1125 -0.3907 0.729 -0.562 -0.3829 0.4265 0.8194 -0.0035 -0.0016 0.0051 -0.472 -0.217 0.689 -0.168 -0.078 0.246 -0.157 -0.072 0.23 15 C 13 0.6098 0.7344 -0.298 0.7434 -0.3995 0.5364 -0.2749 0.5486 0.7896 -0.0016 -0.0013 0.0029 -0.839 -0.709 1.548 -0.3 -0.253 0.552 -0.28 -0.236 0.516 16 H 1 0.723 0.6575 0.2121 -0.5193 0.7197 -0.4608 -0.4556 0.223 0.8618 -0.0024 -0.0017 0.004 -1.265 -0.887 2.152 -0.451 -0.316 0.768 -0.422 -0.296 0.718 17 H 1 0.946 0.3042 -0.1124 -0.3181 0.8029 -0.5042 -0.0631 0.5127 0.8563 -0.0048 -0.003 0.0078 -2.556 -1.589 4.145 -0.912 -0.567 1.479 -0.852 -0.53 1.382 18 H 1 0.0184 -0.6788 0.7341 0.4249 0.67 0.6088 0.9051 -0.3007 -0.3007 -0.0027 -0.0023 0.005 -0.364 -0.302 0.666 -0.13 -0.108 0.238 -0.121 -0.101 0.222 19 C 13 0.5175 0.58 0.6292 -0.1783 0.7922 -0.5836 0.8369 -0.1898 -0.5134 -0.0013 -9.0E-4 0.0023 -0.702 -0.501 1.203 -0.251 -0.179 0.429 -0.234 -0.167 0.401 20 H 1 0.6786 0.3896 0.6227 0.1957 0.7211 -0.6646 0.708 -0.5728 -0.4131 -0.0012 -0.001 0.0022 -0.616 -0.557 1.172 -0.22 -0.199 0.418 -0.205 -0.186 0.391 21 H 1 0.3453 0.933 0.1013 0.1217 -0.1515 0.9809 0.9306 -0.3264 -0.1659 -0.0015 -0.0012 0.0027 -0.797 -0.639 1.436 -0.285 -0.228 0.513 -0.266 -0.213 0.479 22 H 1 0.3004 0.9252 0.2319 0.7168 -0.0585 -0.6948 0.6292 -0.375 0.6808 -0.0036 -0.0016 0.0052 -0.487 -0.209 0.697 -0.174 -0.075 0.249 -0.163 -0.07 0.232 23 C 13 0.4987 0.8375 -0.2235 -0.5066 0.4909 0.7088 0.7033 -0.2402 0.6691 -0.0016 -0.0013 0.0029 -0.841 -0.705 1.546 -0.3 -0.252 0.552 -0.28 -0.235 0.516 24 H 1 0.4765 0.8347 0.2762 0.7539 -0.2262 -0.6168 0.4523 -0.5021 0.7371 -0.0026 -0.0017 0.0043 -1.363 -0.933 2.296 -0.486 -0.333 0.819 -0.455 -0.311 0.766 25 H 1 0.0424 0.9991 0.008 0.7621 -0.0272 -0.6469 0.6461 -0.0335 0.7625 -0.0047 -0.003 0.0077 -2.506 -1.589 4.095 -0.894 -0.567 1.461 -0.836 -0.53 1.366 26 H 1 -0.5208 -0.2371 0.8201 0.6599 0.4976 0.5629 -0.5416 0.8344 -0.1027 -0.0028 -0.0023 0.0051 -0.376 -0.311 0.687 -0.134 -0.111 0.245 -0.125 -0.104 0.229 27 C 13 0.5371 0.5598 0.631 0.7058 0.1115 -0.6996 -0.462 0.8211 -0.3352 -0.0013 -9.0E-4 0.0023 -0.712 -0.493 1.206 -0.254 -0.176 0.43 -0.238 -0.165 0.402 28 H 1 0.2968 0.6568 0.6932 -0.5426 -0.4814 0.6884 0.7858 -0.5804 0.2135 -0.0012 -0.0011 0.0022 -0.625 -0.563 1.188 -0.223 -0.201 0.424 -0.208 -0.188 0.396 29 H 1 0.8284 0.5595 0.0269 3.0E-4 -0.0485 0.9988 -0.5602 0.8274 0.0403 -0.0015 -0.0012 0.0027 -0.802 -0.634 1.436 -0.286 -0.226 0.513 -0.268 -0.212 0.479 30 H 1 0.0763 0.269 0.9601 -0.214 0.9449 -0.2477 0.9738 0.1866 -0.1297 -0.0031 -0.0022 0.0053 -1.641 -1.198 2.839 -0.586 -0.428 1.013 -0.547 -0.4 0.947 31 H 1 -0.0692 0.102 0.9924 -0.3389 0.9332 -0.1195 0.9383 0.3446 0.03 -0.002 -0.0015 0.0035 -0.267 -0.2 0.467 -0.095 -0.071 0.167 -0.089 -0.067 0.156 32 C 13 -0.1285 0.1462 0.9809 -0.1342 0.9774 -0.1633 0.9826 0.1526 0.106 -0.001 -8.0E-4 0.0018 -0.039 -0.03 0.069 -0.014 -0.011 0.025 -0.013 -0.01 0.023 33 N 14 -0.1327 0.3938 0.9096 -0.5049 0.7628 -0.4039 0.8529 0.5129 -0.0976 -0.0015 -0.0014 0.0029 -0.821 -0.727 1.548 -0.293 -0.259 0.552 -0.274 -0.243 0.516 34 H 1 -0.3929 0.1047 0.9136 -0.3521 0.9007 -0.2546 0.8495 0.4217 0.317 -0.0024 -0.0021 0.0045 -1.284 -1.135 2.418 -0.458 -0.405 0.863 -0.428 -0.379 0.807 35 H 1 -0.2497 0.7188 0.6488 -0.158 -0.6913 0.7051 0.9554 0.0735 0.2862 -8.0E-4 -8.0E-4 0.0015 -0.106 -0.101 0.207 -0.038 -0.036 0.074 -0.035 -0.034 0.069 36 C 13 0.1887 -0.5898 0.7852 -0.1006 0.7838 0.6129 0.9769 0.1946 -0.0886 -6.0E-4 -5.0E-4 0.0011 -0.076 -0.068 0.144 -0.027 -0.024 0.052 -0.025 -0.023 0.048 37 C 13 -0.4346 -0.1934 0.8796 -0.1954 0.9737 0.1175 0.8792 0.1208 0.461 -9.0E-4 -8.0E-4 0.0017 -0.473 -0.45 0.923 -0.169 -0.16 0.329 -0.158 -0.15 0.308 38 H 1 -0.2898 0.0701 0.9545 -0.0261 0.9964 -0.0811 0.9567 0.0484 0.2869 -5.0E-4 -5.0E-4 9.0E-4 -0.25 -0.243 0.493 -0.089 -0.087 0.176 -0.083 -0.081 0.164 39 H 1 -0.1916 0.2607 0.9462 0.1375 0.9617 -0.2372 0.9718 -0.0846 0.2201 -0.001 -9.0E-4 0.0019 -0.54 -0.498 1.038 -0.193 -0.178 0.37 -0.18 -0.166 0.346 40 H 1 0.0302 -0.0731 0.9969 -0.1631 0.9836 0.077 0.9861 0.1649 -0.0178 -4.0E-4 -4.0E-4 7.0E-4 -0.194 -0.188 0.382 -0.069 -0.067 0.136 -0.065 -0.063 0.127 41 H 1 0.1591 0.0982 0.9824 -0.3292 0.9434 -0.041 0.9308 0.3168 -0.1824 -5.0E-4 -5.0E-4 0.001 -0.267 -0.252 0.519 -0.095 -0.09 0.185 -0.089 -0.084 0.173 42 H 1 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) PT12149.300S Mon Jul 1 11:04:22 2024 -14.45849 -14.43324 -14.43316 -14.42729 -10.32358 -10.32317 -10.31999 -10.31987 -10.31789 -10.31780 -10.31304 -10.31299 -10.30883 -10.28829 -10.28802 -10.27647 -6.86912 -1.03955 -1.01305 -1.00330 -0.98884 -0.87962 -0.84353 -0.80438 -0.79531 -0.79281 -0.79075 -0.74743 -0.71433 -0.71317 -0.69814 -0.67323 -0.63579 -0.59639 -0.57883 -0.55904 -0.55807 -0.55368 -0.55181 -0.54977 -0.54353 -0.54108 -0.53379 -0.52385 -0.50681 -0.50444 -0.48853 -0.47930 -0.47459 -0.47051 -0.46871 -0.46420 -0.45380 -0.44948 -0.44520 -0.44318 -0.44120 -0.43982 -0.42857 -0.42229 -0.37702 -0.34450 -0.33466 -0.29428 -0.28500 -0.18390 0.07477 0.11161 0.12574 0.13718 0.14800 0.15590 0.16393 0.17377 0.17855 0.18472 0.18692 0.19090 0.19336 0.19984 0.20384 0.21089 0.21169 0.21802 0.22361 0.22613 0.23285 0.24315 0.24376 0.24969 0.25176 0.25490 0.26387 0.26871 0.27266 0.27984 0.29263 0.30520 0.32340 0.32501 0.32735 0.33566 0.33993 0.35459 0.36542 0.37932 0.39771 0.40107 0.43405 0.45740 0.45873 0.48329 0.48745 0.50002 0.50452 0.51504 0.52256 0.53091 0.53682 0.54286 0.55287 0.55907 0.57075 0.57713 0.57938 0.57993 0.58717 0.59963 0.61169 0.62626 0.63860 0.64970 0.65331 0.66512 0.67367 0.67754 0.68184 0.69293 0.69563 0.71067 0.71218 0.71840 0.72303 0.72743 0.73381 0.74023 0.74366 0.74719 0.75166 0.75392 0.75736 0.75817 0.76248 0.76605 0.77495 0.77618 0.77825 0.78515 0.79250 0.79485 0.79838 0.80524 0.81223 0.81400 0.82220 0.82738 0.83149 0.83752 0.84617 0.85814 0.85953 0.87093 0.87760 0.88112 0.89812 0.90629 0.91609 0.92377 0.94663 0.96192 0.97407 0.99382 1.01155 1.01405 1.03539 1.04992 1.05330 1.06362 1.07579 1.09978 1.12225 1.14654 1.17566 1.18617 1.20172 1.21317 1.22573 1.23625 1.24669 1.25407 1.27021 1.27788 1.27885 1.29730 1.30508 1.32174 1.34331 1.35234 1.35953 1.37050 1.39300 1.40511 1.42419 1.42689 1.46927 1.49705 1.51326 1.53237 1.55096 1.55534 1.57879 1.58982 1.60000 1.61202 1.62609 1.62819 1.63243 1.63491 1.64043 1.64858 1.66487 1.67413 1.69692 1.71121 1.73010 1.75029 1.75727 1.76935 1.77248 1.78795 1.81720 1.82593 1.83864 1.84724 1.85810 1.86187 1.86544 1.87773 1.87920 1.88472 1.88703 1.89362 1.89982 1.90676 1.91361 1.91988 1.92392 1.92855 1.93089 1.93919 1.94135 1.94379 1.94998 1.95222 1.96413 1.97566 1.98077 1.99479 2.00815 2.00904 2.01694 2.02454 2.04738 2.05289 2.05429 2.07212 2.07599 2.08259 2.08820 2.09296 2.09913 2.10571 2.10882 2.12476 2.14053 2.15999 2.16333 2.20654 2.23303 2.26411 2.28081 2.28714 2.29733 2.30681 2.31171 2.31199 2.32534 2.34787 2.35763 2.38438 2.38479 2.39576 2.40745 2.43646 2.43917 2.44374 2.44681 2.46771 2.48381 2.50124 2.51117 2.51650 2.52174 2.52990 2.53127 2.54747 2.54933 2.56662 2.68732 2.70731 2.71771 2.72075 2.72790 2.73257 2.73824 2.74600 2.75616 2.75896 2.77606 2.79134 2.80201 2.80477 2.81794 2.82354 2.82919 2.82973 2.83974 2.87356 2.88072 2.92669 2.96753 2.97209 2.98263 2.98524 2.99050 2.99703 3.00318 3.00836 3.02483 3.03148 3.05999 3.06961 3.07413 3.09965 3.11429 3.11742 3.18854 3.19236 3.22567 3.22941 3.24171 3.24463 3.26604 3.27434 3.31596 3.40233 3.47329 3.73020 -14.45466 -14.43300 -14.43292 -14.42729 -10.32356 -10.32315 -10.31999 -10.31988 -10.31435 -10.31423 -10.31304 -10.31299 -10.30883 -10.29011 -10.28982 -10.27019 -6.86902 -1.03173 -1.01302 -1.00076 -0.98830 -0.87180 -0.83652 -0.80418 -0.79515 -0.79279 -0.79074 -0.74429 -0.71249 -0.70048 -0.69656 -0.67317 -0.63306 -0.59524 -0.57681 -0.55737 -0.55503 -0.55265 -0.55117 -0.54644 -0.54199 -0.54043 -0.53223 -0.52343 -0.50433 -0.50244 -0.47898 -0.47660 -0.47281 -0.46955 -0.46492 -0.46319 -0.45341 -0.44753 -0.44457 -0.44255 -0.44086 -0.43975 -0.42476 -0.41958 -0.35172 -0.32417 -0.32296 -0.29274 -0.28497 0.04054 0.08090 0.11172 0.13290 0.13755 0.14931 0.15814 0.16422 0.17408 0.18006 0.18581 0.18759 0.19138 0.19382 0.20231 0.20992 0.21181 0.21436 0.22306 0.22393 0.23218 0.23576 0.24410 0.24540 0.25059 0.25196 0.25945 0.26442 0.26937 0.27401 0.28145 0.29381 0.30623 0.32406 0.32647 0.32821 0.33824 0.34383 0.35657 0.36708 0.38092 0.39987 0.40317 0.43477 0.45898 0.46034 0.48448 0.48819 0.50097 0.50553 0.51656 0.52405 0.53328 0.53933 0.54447 0.55459 0.56423 0.57597 0.57880 0.58255 0.58396 0.58970 0.60281 0.61415 0.62825 0.64025 0.65139 0.65346 0.66225 0.67411 0.67823 0.68745 0.69371 0.69726 0.71223 0.71743 0.71946 0.72531 0.72841 0.73476 0.74085 0.74482 0.74733 0.75290 0.75479 0.75785 0.75878 0.76361 0.76693 0.77582 0.77799 0.77948 0.78694 0.79414 0.79672 0.79951 0.80595 0.81194 0.81477 0.82335 0.82808 0.83247 0.83843 0.84791 0.86113 0.86196 0.87283 0.87830 0.88276 0.90091 0.90722 0.91890 0.92557 0.94881 0.96323 0.97614 0.99517 1.01233 1.01571 1.03650 1.05167 1.05633 1.06669 1.07672 1.10456 1.12452 1.14776 1.17603 1.18654 1.20261 1.21389 1.22641 1.23732 1.24785 1.25491 1.27158 1.27916 1.27991 1.30107 1.30656 1.32439 1.34595 1.35627 1.36525 1.37713 1.39377 1.40925 1.42795 1.42988 1.47590 1.49866 1.51472 1.53400 1.55236 1.55639 1.57889 1.59026 1.60097 1.61217 1.62622 1.62837 1.63281 1.63551 1.64106 1.64900 1.66553 1.67490 1.69742 1.71300 1.73130 1.75064 1.75792 1.77099 1.77363 1.78856 1.82066 1.82971 1.83892 1.85692 1.85874 1.86257 1.87105 1.87900 1.88123 1.88614 1.88737 1.89545 1.90078 1.90732 1.91504 1.92048 1.92616 1.92907 1.93333 1.93965 1.94189 1.94417 1.95109 1.95412 1.96472 1.97628 1.98107 1.99544 2.00862 2.01053 2.01949 2.02612 2.05060 2.05623 2.05818 2.07241 2.07681 2.08431 2.08904 2.09448 2.10056 2.10636 2.10941 2.12876 2.14130 2.16208 2.17124 2.21006 2.23577 2.26377 2.28102 2.28977 2.29760 2.30735 2.31205 2.32312 2.32721 2.34927 2.35909 2.38465 2.38501 2.39629 2.40809 2.43842 2.44565 2.44981 2.45133 2.46783 2.48405 2.50775 2.51374 2.51897 2.52321 2.53021 2.53142 2.54764 2.55868 2.56700 2.69050 2.71060 2.71847 2.72157 2.72948 2.73278 2.73982 2.74638 2.75655 2.75960 2.77904 2.79772 2.80323 2.80750 2.81826 2.82735 2.83126 2.83967 2.84636 2.87460 2.88217 2.92790 2.96765 2.97229 2.98272 2.98562 2.99069 2.99927 3.00403 3.00882 3.02574 3.03233 3.06261 3.07325 3.07569 3.10216 3.11481 3.11883 3.19028 3.19615 3.22604 3.23011 3.24187 3.24470 3.26605 3.27440 3.31736 3.40327 3.47684 3.73351 2-A. -5.92442495e-01 7.43410226e-01 2.02530112e-01 1.94108689e+02 -2.58290757e+01 1.67120068e+02 -1.38425345e+01 -1.11865681e+01 1.61533747e+02 -6.5382 -2.5981 -0.0007 -0.0005 -0.0004 4.4400 23.3593 29.7624 52.9640 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 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|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 23.3232 29.7564 52.9484 56.9236 65.5414 72.2111 79.3587 93.4300 97.9055 139.7806 159.6990 178.5711 219.0965 219.8337 238.9509 246.7161 249.0717 255.2112 264.9860 279.4990 300.7165 302.9133 328.2287 345.4352 350.7180 370.6345 371.3846 433.7896 438.0210 456.4539 486.7042 548.9214 633.7894 648.3533 654.6004 659.1924 686.8331 775.2254 785.4931 876.4447 933.5180 949.1267 962.3811 969.3781 1010.5357 1028.0474 1073.3896 1077.8976 1085.5421 1088.2367 1091.3107 1092.7049 1094.9156 1100.0746 1124.2146 1125.3334 1126.2791 1131.0088 1161.8832 1176.7401 1177.4163 1210.4420 1219.7969 1261.5591 1276.3026 1304.9361 1307.9581 1343.1895 1346.8658 1362.5385 1376.9588 1421.0171 1430.7888 1436.4359 1437.1466 1442.2278 1447.6176 1458.4411 1460.2246 1464.4877 1465.5713 1467.9223 1470.4718 1472.3574 1472.9471 1475.8380 1477.5038 1481.8666 1488.9022 1489.8418 1493.3725 1499.3630 1499.4467 1525.9707 1567.0756 1570.5542 1709.1507 2924.3992 2933.9686 2969.5368 2993.5042 2994.2152 2999.9921 3004.3877 3054.1581 3058.0801 3063.5361 3072.0902 3084.9618 3085.8096 3090.4295 3140.8891 3142.8858 3143.3543 3168.5343 3170.4812 3173.0690 3174.8083 3212.9041 3215.2459 3244.6911 3249.9621 3256.3881 3.3547 3.4437 3.1991 2.8033 3.3216 3.5427 2.9512 3.4696 2.9968 2.4025 1.9658 2.3494 1.5336 1.3301 1.6247 1.4503 1.5328 1.1050 1.1214 1.0940 2.2282 2.2893 2.7605 2.4524 2.3706 2.9630 3.0759 2.0143 2.0253 3.2880 2.8623 3.5172 1.3519 3.4325 5.6332 5.1226 6.1392 1.3596 1.2355 3.5456 4.5900 3.5199 1.2282 1.2854 2.2303 6.1833 1.2159 1.8475 1.4784 1.3503 1.6488 1.3551 1.7048 1.6909 1.2369 1.2298 1.3104 1.2877 1.7487 1.4194 1.4185 1.4939 1.1844 4.6065 4.6922 4.8615 1.8261 2.8879 2.8896 1.8474 2.3923 2.2490 1.2547 1.1964 1.2255 1.2494 1.3350 1.1212 1.0615 1.0562 1.2245 1.1013 1.2155 1.0815 1.3665 1.0991 1.0958 1.0837 1.0569 1.0501 1.1374 1.0862 1.0818 1.2608 2.7658 2.7627 6.0997 1.0573 1.0580 1.0528 1.0416 1.0414 1.0412 1.0425 1.1029 1.1014 1.1048 1.1015 1.0766 1.0756 1.0829 1.1060 1.1053 1.1051 1.0980 1.0997 1.0980 1.0985 1.0889 1.0895 1.0922 1.0940 1.0974 0.0011 0.0018 0.0053 0.0054 0.0084 0.0109 0.0110 0.0178 0.0169 0.0277 0.0295 0.0441 0.0434 0.0379 0.0547 0.0520 0.0560 0.0424 0.0464 0.0504 0.1187 0.1238 0.1752 0.1724 0.1718 0.2398 0.2500 0.2233 0.2289 0.4036 0.3995 0.6244 0.3200 0.8501 1.4222 1.3115 1.7063 0.4814 0.4491 1.6047 2.3567 1.8682 0.6702 0.7117 1.3419 3.8503 0.8254 1.2647 1.0264 0.9421 1.1570 0.9533 1.2042 1.2056 0.9210 0.9176 0.9793 0.9705 1.3909 1.1580 1.1586 1.2897 1.0383 4.3195 4.5033 4.8775 1.8407 3.0698 3.0884 2.0207 2.6725 2.6757 1.5134 1.4545 1.4913 1.5312 1.6483 1.4052 1.3335 1.3347 1.5496 1.3982 1.5486 1.3813 1.7467 1.4104 1.4094 1.4021 1.3805 1.3733 1.4945 1.4387 1.4331 1.7298 4.0017 4.0151 10.4983 5.3272 5.3660 5.4696 5.4992 5.5009 5.5212 5.5441 6.0611 6.0685 6.1090 6.1249 6.0367 6.0347 6.0937 6.4285 6.4328 6.4335 6.4946 6.5126 6.5135 6.5237 6.6225 6.6361 6.7750 6.8081 6.8563 0.1117 0.0036 0.0677 0.1691 0.0650 0.4858 0.1586 0.4202 0.5672 1.4245 0.7748 1.5818 0.4320 0.6581 0.9851 1.4822 0.4015 0.7149 0.9513 0.6070 3.4548 4.4605 1.6675 2.9528 19.1288 2.2473 1.9784 0.0304 0.0605 0.3240 0.7480 1.5921 36.5922 39.5012 3.0576 2.3044 6.6448 22.2499 1.6921 20.9536 0.6394 11.6009 0.2012 0.8908 60.8584 6.9791 0.0511 17.9004 1.5500 15.7251 11.9804 6.8117 18.6799 20.4765 1.4368 0.9120 7.8913 7.4813 86.8660 6.9230 5.6648 19.6866 6.6503 118.5007 40.7039 189.5784 6.0840 16.5515 14.8891 13.2306 36.1693 239.4257 39.5013 1.5531 4.0397 56.6599 71.7412 46.3949 2.0906 2.3048 8.0217 36.7048 19.5861 0.7470 3.6491 23.1274 19.3285 20.8188 24.3663 17.8306 16.7777 4.5307 25.4424 95.7057 173.0739 143.7034 30.3377 52.9423 101.6658 75.0956 12.1436 116.1175 164.2278 47.2467 73.1995 74.0694 6.4347 24.2842 29.2258 55.3712 26.5876 3.0527 26.2327 34.6468 13.9361 10.6688 9.1403 9.3087 1.9617 11.1201 5.1010 8.4293 2.1546 -0.04 0.01 -0.01 -0.08 -0.03 -0.05 -0.09 -0.06 -0.07 -0.07 -0.05 -0.06 -0.03 -0.01 -0.02 -0.03 0.01 -0.00 -0.12 -0.09 -0.10 -0.03 0.03 0.01 -0.09 -0.03 -0.05 -0.07 -0.06 -0.07 -0.01 -0.00 -0.01 -0.00 0.04 0.01 -0.01 0.04 0.01 0.01 0.08 0.02 -0.02 0.00 0.01 -0.01 -0.00 0.03 -0.05 -0.00 -0.00 -0.02 -0.02 0.02 -0.00 0.06 -0.00 -0.03 0.05 -0.03 0.01 0.05 0.02 0.01 0.10 -0.02 -0.01 0.09 0.01 -0.01 0.15 0.00 0.02 0.07 0.02 -0.06 0.07 -0.01 0.07 0.10 0.04 0.10 0.10 0.05 0.06 0.15 0.03 0.08 0.08 0.05 -0.06 0.01 0.20 0.03 -0.04 0.21 0.09 -0.09 0.03 -0.03 0.00 0.27 0.14 -0.08 0.30 0.19 -0.14 -0.04 -0.05 -0.04 -0.09 0.31 -0.17 0.06 0.24 -0.17 -0.18 0.12 -0.11 -0.05 -0.00 -0.07 -0.22 -0.12 0.00 -0.03 -0.13 0.00 -0.12 0.04 -0.03 -0.06 0.08 0.02 -0.05 0.11 0.10 -0.00 0.08 0.11 0.03 0.04 0.06 0.02 0.02 -0.01 -0.03 0.14 0.14 0.01 0.02 -0.09 -0.10 0.10 -0.00 -0.08 0.09 0.17 0.07 0.01 0.07 0.04 -0.00 -0.04 -0.02 -0.01 -0.07 -0.02 -0.00 -0.04 -0.02 -0.02 -0.11 -0.01 -0.03 -0.12 0.01 -0.03 -0.13 -0.04 -0.02 -0.10 -0.01 -0.01 -0.06 -0.02 -0.02 -0.07 -0.03 -0.00 -0.07 -0.00 -0.01 -0.04 -0.02 0.03 -0.02 -0.02 0.04 -0.02 -0.05 0.05 -0.01 0.00 0.04 -0.02 -0.02 -0.03 -0.05 -0.02 -0.03 -0.04 -0.00 -0.02 -0.07 -0.03 -0.05 -0.05 -0.01 -0.08 -0.05 0.13 -0.13 -0.06 0.16 -0.08 0.04 0.07 -0.25 -0.02 0.23 -0.09 -0.18 0.21 0.07 -0.02 -0.02 -0.14 0.20 -0.01 0.13 -0.12 0.05 0.11 0.04 -0.10 0.12 -0.01 -0.06 -0.11 0.26 -0.08 -0.26 0.24 0.06 -0.11 0.22 -0.06 -0.02 -0.03 -0.05 -0.01 -0.02 -0.05 0.02 0.02 0.00 0.04 0.04 0.04 0.03 0.03 0.03 -0.00 -0.01 -0.01 0.03 0.03 0.01 -0.04 -0.06 -0.09 -0.03 -0.04 -0.08 0.06 0.07 0.08 0.04 0.04 0.06 0.00 0.00 -0.03 -0.06 -0.02 -0.06 0.06 0.04 -0.04 -0.15 -0.14 -0.00 -0.15 -0.17 0.05 -0.23 -0.16 -0.08 -0.14 -0.17 0.06 -0.06 0.05 -0.13 -0.15 0.03 -0.20 -0.01 0.04 -0.07 0.00 0.16 -0.18 0.05 0.03 -0.04 0.05 0.04 -0.03 0.05 0.02 -0.05 0.05 0.03 -0.03 0.14 0.08 -0.05 0.21 0.06 -0.03 0.14 0.15 -0.09 0.13 0.07 -0.04 -0.02 -0.01 0.10 0.01 0.01 0.04 -0.00 -0.01 0.08 0.06 -0.03 -0.03 0.00 0.11 0.02 -0.06 0.06 0.16 0.01 -0.14 0.10 -0.08 0.13 0.12 -0.07 0.06 0.19 -0.07 0.04 0.21 0.00 -0.14 0.12 0.06 -0.19 0.03 -0.02 -0.18 0.18 0.00 0.01 0.02 -0.03 -0.02 -0.04 -0.06 -0.03 -0.08 -0.04 -0.00 -0.03 -0.01 0.02 0.03 0.00 0.02 0.04 -0.08 -0.06 -0.13 0.02 0.01 0.05 -0.03 -0.03 -0.06 -0.05 -0.00 -0.04 0.01 0.04 0.07 -0.01 0.00 0.02 -0.06 -0.02 0.01 0.01 0.01 0.01 -0.11 -0.04 0.04 -0.14 -0.05 0.05 -0.14 -0.05 0.01 -0.10 -0.03 0.08 -0.07 -0.02 -0.05 -0.10 -0.03 -0.06 -0.09 -0.03 -0.05 -0.03 -0.03 -0.07 0.02 -0.01 0.02 0.03 -0.03 0.01 0.02 -0.00 0.01 0.04 0.00 0.03 0.01 0.00 -0.00 0.02 0.01 0.01 0.01 -0.00 -0.03 -0.01 0.00 -0.00 0.19 0.01 -0.22 0.08 -0.03 -0.08 0.04 0.01 0.04 0.08 0.04 0.02 -0.02 -0.18 -0.13 0.02 -0.09 -0.06 0.17 0.20 0.12 -0.06 -0.21 -0.09 -0.01 -0.07 0.02 0.10 -0.06 -0.19 0.13 0.22 0.23 0.18 0.28 0.22 0.29 0.26 -0.01 0.00 0.00 0.01 -0.05 -0.05 -0.09 -0.08 -0.06 -0.13 -0.02 0.01 -0.02 0.03 0.06 0.07 0.03 0.04 0.06 -0.13 -0.10 -0.21 0.03 0.01 0.04 -0.07 -0.08 -0.14 -0.02 0.02 -0.01 0.07 0.10 0.15 -0.01 -0.00 0.02 -0.03 0.01 0.01 -0.01 -0.07 -0.01 -0.04 0.04 0.02 -0.06 0.04 0.01 -0.03 0.04 0.02 -0.03 0.06 0.02 -0.04 -0.03 0.01 -0.02 -0.03 0.02 -0.07 -0.02 -0.01 -0.04 -0.06 0.01 0.11 -0.09 0.00 0.15 -0.13 -0.07 0.13 -0.06 0.04 0.16 -0.07 0.04 -0.14 -0.14 -0.08 -0.19 -0.12 -0.09 -0.13 -0.26 -0.11 -0.22 -0.09 -0.09 -0.01 0.03 0.19 0.06 0.08 0.08 0.08 0.09 0.01 0.05 0.01 -0.02 0.12 0.20 0.10 0.10 0.15 0.08 0.01 -0.03 -0.04 0.15 0.22 0.09 0.12 0.15 0.03 0.06 0.13 0.15 0.03 -0.03 -0.10 -0.01 -0.09 -0.11 -0.06 -0.08 0.05 -0.00 0.01 0.04 0.04 0.05 0.12 0.03 0.02 0.09 -0.04 -0.06 -0.03 -0.08 -0.10 -0.10 -0.06 -0.06 -0.06 0.06 0.05 0.16 0.01 0.03 0.06 0.09 0.11 0.21 -0.07 -0.10 -0.07 -0.12 -0.15 -0.19 -0.05 -0.04 -0.05 -0.05 -0.06 -0.04 -0.04 0.01 -0.02 -0.03 -0.02 -0.05 -0.06 -0.01 -0.06 0.00 -0.02 -0.03 -0.03 0.02 -0.05 -0.05 -0.10 -0.03 -0.03 -0.12 -0.03 -0.07 -0.11 -0.02 -0.06 -0.10 -0.02 -0.06 0.09 -0.06 -0.06 0.17 -0.07 -0.03 0.10 -0.02 -0.11 0.06 -0.12 -0.03 0.01 0.05 -0.04 0.04 0.07 -0.04 0.03 0.07 -0.01 -0.03 0.07 0.11 -0.16 0.11 0.06 -0.07 0.01 0.08 0.08 0.01 -0.01 -0.14 -0.08 0.07 -0.02 0.01 0.17 0.16 0.09 0.08 0.05 0.01 0.17 0.19 0.09 0.18 0.26 0.08 0.23 0.11 0.17 0.09 0.17 0.00 0.00 -0.01 -0.07 0.14 -0.02 0.10 -0.03 -0.06 -0.04 0.01 -0.01 0.01 0.04 0.03 0.06 0.01 0.02 0.03 -0.04 -0.03 -0.02 -0.05 -0.06 -0.04 0.08 0.07 0.10 -0.05 -0.09 -0.07 0.02 -0.01 0.01 0.02 0.04 0.05 -0.06 -0.04 -0.04 -0.04 -0.04 -0.02 -0.01 -0.04 -0.00 -0.05 -0.03 -0.00 0.00 -0.11 -0.01 0.03 -0.14 0.03 -0.01 -0.14 -0.05 -0.00 -0.13 -0.03 0.01 0.02 0.03 -0.00 0.03 0.02 0.07 0.02 0.04 -0.01 0.06 0.03 -0.06 -0.02 -0.01 -0.07 -0.01 -0.00 -0.06 -0.02 -0.01 -0.07 -0.03 -0.02 -0.02 -0.02 0.00 -0.02 -0.03 0.00 -0.03 0.00 0.01 -0.01 -0.02 0.00 -0.03 0.37 0.03 0.11 0.28 0.07 0.09 0.06 0.02 0.22 0.33 0.13 0.15 0.32 0.10 -0.03 -0.04 -0.07 0.05 0.03 -0.01 0.02 -0.03 -0.04 -0.03 -0.23 -0.11 -0.19 0.04 -0.15 0.05 -0.17 -0.04 0.17 0.10 0.08 -0.10 0.12 -0.10 -0.14 -0.04 -0.11 -0.15 -0.06 -0.04 -0.04 -0.03 0.10 0.08 0.01 0.16 0.07 0.02 0.06 -0.03 0.00 -0.06 -0.03 -0.04 0.17 -0.21 -0.03 -0.19 -0.24 -0.09 -0.08 0.17 0.03 0.26 0.14 0.04 0.09 -0.01 0.04 -0.06 0.03 0.02 -0.04 -0.01 0.07 -0.04 0.10 -0.00 -0.09 0.12 -0.02 -0.06 0.16 -0.03 -0.09 0.09 0.02 -0.15 0.04 -0.03 0.05 0.11 -0.06 0.06 0.03 -0.04 0.08 -0.02 -0.03 0.09 0.07 0.13 -0.07 0.08 0.05 -0.08 0.01 0.24 -0.03 0.18 0.18 -0.11 -0.14 -0.01 0.00 -0.23 0.06 0.01 -0.14 -0.12 0.02 -0.18 -0.02 0.01 0.04 -0.04 -0.04 0.02 -0.05 -0.01 0.01 -0.04 0.03 0.03 -0.04 0.01 -0.00 -0.08 -0.02 0.02 -0.04 0.03 0.06 0.01 0.07 -0.02 -0.07 0.01 0.01 -0.00 0.06 0.07 -0.05 0.02 0.04 0.04 0.11 0.06 0.02 0.08 0.12 0.01 0.05 -0.05 -0.07 -0.05 -0.01 -0.02 -0.05 0.01 0.06 0.01 -0.02 0.09 0.05 -0.06 0.03 0.04 -0.07 -0.05 -0.00 0.04 0.10 0.01 -0.06 -0.12 -0.07 0.00 -0.04 -0.08 -0.01 0.15 0.09 -0.09 0.04 0.07 -0.06 -0.03 0.02 0.00 0.03 0.03 -0.07 -0.05 0.01 0.04 -0.05 0.01 0.16 -0.04 0.01 -0.03 -0.02 0.02 0.01 -0.17 -0.02 0.05 0.22 0.08 -0.00 0.32 0.14 0.21 0.26 0.03 -0.00 0.25 0.11 -0.07 -0.11 0.03 -0.05 -0.02 -0.01 0.02 -0.21 0.03 -0.18 -0.15 0.08 0.04 0.00 -0.06 0.11 -0.07 -0.09 0.04 0.08 -0.08 0.06 0.04 -0.08 0.06 -0.16 -0.01 0.02 -0.11 -0.06 0.03 -0.01 -0.04 -0.02 -0.15 -0.10 0.02 -0.10 -0.06 0.10 0.05 0.01 0.07 0.02 -0.02 0.08 0.05 -0.00 0.10 0.15 0.03 0.18 -0.00 0.07 0.06 0.14 0.00 -0.00 -0.02 -0.06 0.17 -0.02 0.02 -0.01 -0.09 -0.03 0.01 -0.06 -0.07 0.02 0.01 -0.03 0.02 0.06 0.04 -0.01 0.02 0.06 -0.04 -0.07 -0.00 0.04 0.04 -0.05 -0.00 -0.11 -0.03 0.03 -0.08 -0.11 0.04 0.13 0.10 -0.02 0.05 0.11 -0.04 -0.08 -0.00 -0.05 -0.07 -0.01 -0.01 -0.04 0.01 0.02 0.22 -0.04 0.15 0.39 -0.31 -0.02 0.45 0.22 -0.01 0.04 -0.06 -0.05 -0.06 -0.02 -0.01 0.05 0.11 -0.08 0.00 -0.20 -0.07 -0.24 0.01 -0.01 0.02 -0.01 0.00 0.09 -0.04 0.04 0.02 0.03 -0.05 0.00 -0.04 0.11 0.02 0.06 0.20 0.02 0.12 0.11 0.14 0.03 0.12 -0.04 0.09 -0.00 0.02 0.03 0.01 0.03 0.01 0.01 0.01 0.01 0.03 0.01 -0.01 0.02 0.05 0.01 -0.01 -0.00 -0.00 0.01 0.00 0.01 0.00 0.00 0.01 -0.01 -0.03 -0.01 -0.04 0.01 -0.01 0.01 -0.02 0.01 0.03 0.01 0.02 -0.01 0.01 0.00 0.04 -0.02 0.01 0.06 -0.01 0.01 0.04 -0.01 -0.01 0.00 -0.03 -0.03 -0.00 -0.04 -0.02 0.01 -0.03 -0.00 0.04 -0.00 -0.02 0.05 -0.03 0.02 0.08 0.00 0.03 -0.01 -0.03 -0.05 -0.01 -0.04 -0.02 0.01 -0.03 0.00 -0.02 -0.05 -0.00 0.03 0.02 0.02 -0.06 -0.01 0.02 0.11 0.09 -0.12 -0.22 0.15 0.13 -0.08 -0.23 0.07 0.01 0.17 -0.05 -0.02 0.41 0.16 0.12 0.29 -0.32 -0.03 -0.03 0.01 0.06 0.10 -0.02 0.06 0.01 0.00 -0.02 0.22 0.01 0.18 0.14 -0.09 -0.11 -0.06 0.07 -0.29 -0.04 -0.02 -0.14 -0.18 0.23 -0.01 0.00 0.03 -0.02 -0.01 0.02 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.02 -0.02 -0.01 0.02 -0.01 -0.02 -0.02 -0.01 -0.01 -0.01 0.00 -0.02 -0.02 -0.01 -0.02 -0.02 0.00 -0.02 -0.01 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.01 0.00 0.05 0.04 0.04 0.04 -0.02 0.03 -0.03 -0.08 0.02 -0.05 -0.09 -0.01 -0.00 -0.06 -0.03 0.01 -0.01 0.05 -0.05 0.04 -0.01 0.09 0.11 0.07 0.08 -0.11 0.03 -0.07 -0.10 0.00 0.02 -0.06 -0.03 0.00 -0.03 -0.03 0.02 -0.00 -0.03 -0.02 0.05 -0.03 -0.03 0.05 -0.03 -0.01 0.12 -0.04 -0.02 0.04 0.01 -0.09 -0.00 0.02 0.12 0.00 -0.02 0.09 0.08 -0.01 0.21 -0.06 0.12 0.14 0.21 0.08 -0.05 0.29 0.11 -0.21 0.31 0.14 0.10 0.21 0.08 -0.08 0.04 -0.00 -0.07 0.28 0.07 0.14 0.11 0.05 -0.40 -0.24 -0.11 0.01 -0.02 0.01 -0.00 -0.01 0.01 -0.00 -0.02 -0.02 0.01 0.01 0.00 -0.01 -0.02 0.02 -0.01 -0.04 -0.03 -0.01 -0.00 -0.01 0.02 -0.04 -0.03 -0.01 -0.04 -0.04 0.00 -0.04 -0.02 -0.02 -0.01 -0.03 0.04 0.02 0.01 0.04 -0.01 0.01 -0.01 0.02 -0.05 0.04 0.04 -0.03 -0.00 0.00 0.00 -0.04 -0.02 0.03 0.01 -0.04 -0.00 0.06 -0.03 -0.06 0.04 0.01 0.02 -0.08 0.05 -0.07 0.08 0.09 -0.03 -0.01 -0.03 0.08 0.03 -0.06 0.02 0.10 -0.02 -0.04 -0.01 -0.01 0.09 -0.03 0.04 -0.01 -0.02 0.01 0.02 -0.04 -0.30 -0.15 0.19 0.30 -0.26 -0.24 0.06 0.44 -0.10 -0.02 0.03 -0.01 -0.00 -0.03 -0.05 -0.04 0.00 0.06 -0.02 0.07 -0.01 0.00 0.03 -0.04 -0.02 -0.05 0.01 -0.08 0.10 -0.06 0.09 0.06 -0.09 0.02 -0.02 0.05 -0.18 -0.08 -0.12 -0.05 -0.04 0.35 0.29 0.05 -0.01 -0.01 -0.02 0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.03 0.00 0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.00 0.01 0.01 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.01 0.01 -0.01 0.01 -0.01 -0.01 -0.05 -0.03 0.02 -0.02 -0.02 0.04 0.02 0.01 -0.01 0.00 -0.01 -0.04 -0.03 -0.02 -0.02 -0.04 -0.01 0.07 0.05 0.03 -0.01 -0.08 -0.04 0.04 -0.03 -0.03 -0.03 0.02 -0.02 -0.07 -0.04 -0.04 0.01 0.01 0.02 0.01 0.07 0.01 0.05 0.02 0.01 -0.03 0.06 0.03 0.14 0.13 -0.07 -0.21 0.20 0.12 -0.05 -0.18 0.08 -0.01 -0.01 -0.00 -0.12 -0.33 -0.36 0.01 -0.18 0.45 0.09 0.45 -0.11 0.03 0.00 0.01 0.01 -0.06 0.05 -0.03 0.03 -0.02 0.08 0.02 0.01 -0.03 -0.02 -0.00 -0.12 -0.02 -0.05 -0.04 -0.09 0.06 -0.01 0.02 -0.02 -0.00 0.02 -0.03 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.02 0.02 -0.00 -0.02 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.01 0.00 0.03 0.02 0.04 -0.01 0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 -0.01 -0.05 -0.04 -0.07 -0.01 -0.00 -0.03 0.03 0.05 0.04 -0.02 0.00 -0.03 -0.06 -0.04 -0.07 -0.03 -0.02 -0.02 0.08 0.09 0.10 -0.08 -0.08 -0.11 -0.02 -0.02 -0.05 -0.04 0.00 -0.05 -0.09 -0.06 -0.10 0.02 0.03 0.03 0.02 0.05 0.03 0.05 0.03 0.02 -0.01 0.02 0.05 -0.12 -0.03 0.13 0.05 -0.07 -0.03 0.01 0.15 0.06 -0.01 -0.03 -0.02 0.07 0.07 0.13 -0.13 0.03 -0.23 -0.01 -0.29 0.01 0.10 -0.02 0.05 0.15 0.24 -0.09 0.36 -0.24 0.12 -0.20 -0.13 0.14 -0.01 -0.00 -0.01 -0.13 -0.04 -0.12 -0.04 -0.08 0.12 0.08 0.08 -0.06 0.07 0.10 -0.19 0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.03 0.13 0.17 -0.03 -0.20 -0.01 -0.00 0.00 0.01 0.00 -0.02 0.01 0.06 0.04 0.05 0.01 -0.05 -0.05 -0.07 0.01 0.03 0.01 0.07 0.00 -0.06 -0.07 -0.05 0.05 -0.07 0.07 -0.04 -0.01 -0.02 -0.02 0.01 -0.00 -0.00 0.04 0.02 -0.04 0.01 -0.02 -0.05 -0.01 -0.03 -0.02 0.00 0.00 0.02 0.06 0.05 -0.05 -0.03 -0.05 -0.02 0.00 -0.02 -0.05 0.01 -0.04 -0.08 -0.02 -0.05 0.01 0.02 0.02 -0.01 -0.03 0.02 0.10 0.06 -0.01 0.01 -0.01 0.01 0.04 0.00 -0.01 0.01 0.01 0.03 0.01 -0.03 -0.00 -0.01 -0.04 0.03 0.06 0.05 0.16 -0.05 0.01 -0.12 -0.05 -0.23 0.08 0.02 -0.04 0.03 -0.04 -0.32 0.18 -0.21 0.05 -0.11 0.26 0.05 0.06 0.03 0.02 -0.05 -0.06 -0.01 -0.13 0.02 -0.06 0.03 0.06 0.09 -0.09 -0.09 -0.13 0.25 -0.00 -0.01 0.01 0.00 0.00 -0.00 0.05 -0.17 -0.22 0.04 0.27 0.01 0.02 -0.00 -0.01 -0.00 0.01 -0.01 -0.14 -0.10 -0.10 -0.03 0.13 0.15 0.20 -0.03 -0.06 -0.02 -0.20 0.00 0.14 0.12 0.11 -0.13 0.12 -0.13 0.00 -0.03 -0.05 0.01 -0.03 -0.03 0.05 -0.01 0.02 0.03 -0.02 -0.00 0.01 -0.03 -0.03 0.02 -0.01 -0.01 0.06 0.01 0.05 -0.01 -0.05 -0.07 -0.01 -0.04 -0.05 0.03 -0.02 -0.01 0.01 -0.05 -0.06 0.02 0.01 0.02 0.03 0.08 0.01 -0.08 -0.04 0.04 -0.04 0.04 0.05 -0.21 -0.04 0.16 0.04 -0.09 -0.06 0.00 0.22 0.09 0.00 0.03 -0.06 -0.01 0.02 -0.07 -0.06 0.03 -0.07 0.06 0.00 -0.09 0.00 0.03 0.02 0.04 0.12 -0.07 0.10 0.02 0.10 -0.07 0.00 -0.01 -0.03 -0.01 0.03 0.18 0.06 0.23 0.03 0.04 -0.26 -0.27 -0.13 0.10 -0.10 -0.18 0.29 -0.01 -0.03 0.01 -0.00 -0.00 -0.00 0.05 -0.22 -0.27 0.04 0.30 -0.00 -0.01 -0.01 -0.01 0.01 0.02 0.00 -0.05 -0.03 -0.04 -0.02 0.01 0.04 0.03 -0.01 -0.03 -0.01 -0.16 0.03 0.14 0.12 0.12 -0.09 0.13 -0.12 -0.00 -0.03 -0.02 0.01 -0.02 -0.02 0.03 0.01 0.01 -0.00 -0.01 -0.01 -0.01 -0.02 -0.01 0.00 -0.01 0.01 0.04 0.03 0.03 -0.01 -0.05 -0.04 0.00 -0.03 -0.04 -0.01 -0.00 -0.02 -0.04 -0.04 -0.04 0.01 0.00 0.01 0.00 0.02 0.01 0.01 0.01 0.01 -0.01 0.02 0.02 -0.10 -0.02 0.07 0.05 -0.04 -0.03 0.00 0.12 0.02 -0.01 0.01 -0.00 0.02 0.05 0.05 -0.03 0.03 -0.07 -0.01 -0.07 0.01 -0.03 0.00 0.01 -0.08 -0.29 0.15 -0.30 0.19 -0.09 0.28 0.12 -0.03 0.00 -0.00 -0.02 0.16 0.08 0.15 0.06 -0.00 -0.27 -0.23 -0.09 0.05 0.02 0.08 -0.08 0.00 0.02 0.01 0.00 0.01 -0.00 -0.02 0.09 0.11 -0.00 -0.08 0.02 0.01 -0.00 -0.02 0.01 -0.01 0.01 0.02 -0.02 0.00 0.01 -0.02 -0.04 -0.00 0.01 -0.03 0.03 0.32 -0.01 -0.23 -0.18 -0.19 0.21 -0.20 0.21 -0.01 0.02 0.00 -0.01 0.01 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.02 -0.00 -0.00 -0.01 0.02 0.00 -0.01 0.02 0.02 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.00 0.06 0.01 -0.02 -0.04 0.03 0.02 -0.00 -0.08 0.01 0.00 -0.02 -0.00 0.00 -0.04 -0.03 -0.00 -0.03 0.03 0.01 0.01 -0.01 0.02 -0.00 -0.00 0.04 0.08 -0.06 0.11 -0.06 0.04 -0.07 -0.04 0.02 0.01 0.00 0.00 -0.07 -0.05 -0.09 -0.02 0.01 0.15 0.14 0.06 -0.03 -0.15 -0.15 0.34 -0.01 0.01 0.03 -0.00 0.01 -0.00 0.04 -0.19 -0.26 0.06 0.37 0.04 -0.03 -0.04 -0.05 0.03 0.01 0.02 0.01 -0.05 -0.02 -0.02 -0.13 -0.10 -0.11 0.01 -0.11 0.05 0.38 0.04 -0.21 -0.16 -0.17 0.28 -0.18 0.23 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 0.02 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.00 -0.02 -0.01 0.00 -0.00 0.00 -0.01 -0.03 0.00 -0.00 0.02 -0.01 -0.01 0.00 0.03 -0.01 -0.00 0.01 -0.00 -0.01 0.00 -0.01 0.02 0.00 0.01 -0.01 0.03 -0.00 0.00 0.00 -0.00 0.03 0.11 -0.06 0.10 -0.06 0.04 -0.11 -0.04 0.01 -0.00 -0.00 0.02 -0.00 -0.00 0.02 -0.01 0.01 0.03 0.01 -0.01 0.02 -0.04 0.11 -0.05 -0.01 0.05 0.01 -0.01 -0.00 0.00 0.02 0.10 0.07 -0.00 0.02 0.02 0.03 -0.01 -0.02 -0.02 -0.03 0.00 -0.36 -0.29 -0.24 -0.07 0.35 0.36 0.54 -0.10 -0.18 -0.01 0.05 -0.00 -0.07 -0.10 -0.08 0.03 -0.11 0.10 0.05 -0.03 0.01 0.06 -0.03 -0.01 0.04 -0.05 -0.03 0.03 -0.02 0.02 0.03 -0.03 0.03 -0.01 -0.03 0.00 0.04 -0.05 -0.05 0.08 -0.04 0.04 0.07 -0.02 0.01 0.04 0.01 0.03 0.04 -0.02 0.05 -0.00 0.01 -0.00 -0.08 -0.10 -0.01 0.12 0.15 0.00 -0.00 0.04 -0.05 -0.17 0.02 -0.05 0.22 -0.04 -0.03 0.02 0.27 -0.11 -0.04 0.04 0.05 -0.10 0.04 0.02 0.12 0.03 0.13 -0.08 0.18 0.06 -0.07 -0.00 0.05 -0.10 0.25 0.10 0.09 -0.28 -0.04 -0.37 -0.12 0.15 -0.08 0.05 -0.07 -0.09 0.15 0.02 -0.03 -0.15 -0.25 -0.34 0.04 -0.04 -0.04 -0.04 0.09 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.02 -0.05 -0.07 0.02 0.10 0.01 -0.01 -0.01 -0.01 0.01 0.01 0.00 0.01 0.01 0.01 -0.01 -0.04 -0.03 -0.05 0.00 0.00 0.00 0.04 0.01 -0.01 0.00 -0.01 0.04 -0.00 0.01 0.02 -0.04 0.08 0.05 -0.01 0.04 -0.04 -0.02 -0.06 -0.03 0.05 0.04 -0.04 0.01 0.09 -0.07 -0.09 -0.00 -0.04 -0.01 -0.13 0.09 -0.04 0.16 0.15 0.02 0.08 -0.01 0.13 0.09 -0.04 0.06 0.18 0.02 0.02 -0.01 0.09 0.14 -0.01 0.04 0.05 -0.02 0.04 -0.06 0.01 0.29 -0.04 0.02 -0.22 0.03 -0.01 -0.00 -0.36 0.05 0.04 -0.06 -0.08 0.16 -0.03 0.02 -0.19 -0.03 -0.25 0.08 -0.34 -0.08 -0.06 0.03 -0.02 -0.07 0.16 0.01 0.00 -0.05 -0.04 -0.19 -0.02 -0.02 -0.05 0.01 -0.05 0.01 0.09 0.05 -0.00 -0.07 -0.22 -0.24 -0.03 -0.01 0.05 -0.03 0.01 0.01 -0.01 -0.00 0.01 0.03 0.02 -0.01 -0.02 -0.02 -0.01 -0.01 -0.01 -0.00 -0.00 -0.02 -0.01 -0.01 0.00 -0.05 -0.06 -0.04 -0.02 0.01 0.03 0.04 0.01 -0.08 -0.01 -0.03 -0.02 -0.01 -0.03 -0.02 -0.06 -0.03 0.04 0.06 -0.02 -0.03 0.06 -0.04 -0.04 0.09 -0.06 0.00 0.06 -0.06 0.00 0.05 -0.05 -0.00 0.04 0.02 0.03 0.09 -0.06 0.00 0.06 -0.06 -0.04 0.01 -0.06 -0.06 0.04 -0.06 -0.03 0.07 -0.08 -0.05 -0.03 0.03 -0.01 -0.05 0.14 0.00 -0.04 -0.01 -0.05 -0.10 0.00 0.03 0.02 0.00 0.05 -0.29 0.05 -0.00 -0.12 -0.17 0.10 -0.07 -0.03 0.22 0.21 -0.02 0.38 -0.14 -0.02 0.16 -0.26 -0.21 0.36 -0.05 0.05 -0.09 -0.04 0.12 -0.10 -0.02 0.08 -0.04 -0.08 0.04 -0.15 0.02 0.04 -0.09 -0.02 -0.06 -0.21 -0.01 0.08 0.04 0.17 0.11 -0.14 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.00 0.01 -0.04 -0.00 -0.01 -0.00 0.06 0.04 -0.04 0.01 -0.03 -0.02 0.02 -0.00 0.06 0.06 0.10 0.00 0.06 0.05 -0.08 -0.04 -0.06 -0.07 -0.06 -0.10 -0.10 -0.05 -0.11 -0.09 -0.02 -0.05 0.03 0.00 -0.01 -0.02 0.07 -0.05 0.13 -0.02 -0.05 -0.00 -0.03 -0.08 0.15 -0.03 -0.07 -0.09 0.01 -0.08 -0.03 -0.17 -0.11 -0.03 0.01 0.02 0.07 0.01 0.08 -0.06 0.01 -0.00 -0.10 -0.06 0.07 -0.03 -0.04 -0.06 -0.07 0.14 0.00 0.04 -0.16 -0.11 -0.21 -0.11 -0.08 0.03 -0.09 0.13 0.06 0.14 0.36 0.06 -0.14 -0.03 -0.15 -0.32 0.25 -0.19 0.09 0.03 -0.03 0.04 0.01 -0.03 -0.10 -0.06 0.05 0.05 0.01 0.04 0.14 0.05 0.01 0.00 0.04 0.03 0.03 -0.01 0.04 0.10 0.04 0.02 0.07 0.02 0.01 -0.06 0.19 0.02 0.10 0.05 0.00 0.08 0.05 0.17 0.06 -0.10 -0.01 0.00 -0.01 -0.03 -0.01 -0.02 0.01 0.03 0.04 -0.02 -0.01 -0.01 -0.01 -0.00 -0.01 0.04 0.05 0.06 0.02 0.04 0.06 -0.03 -0.02 -0.04 -0.07 -0.05 -0.08 -0.05 -0.04 -0.06 -0.04 -0.03 -0.07 0.00 0.01 -0.00 -0.03 0.03 -0.02 0.05 -0.01 -0.02 0.01 -0.02 -0.06 0.09 -0.01 -0.05 -0.00 -0.00 -0.05 -0.01 -0.07 -0.11 -0.03 0.04 0.02 -0.01 0.01 0.01 0.01 0.02 0.08 -0.06 0.09 0.04 -0.00 -0.02 -0.01 -0.01 0.03 0.00 0.03 -0.08 -0.04 -0.07 -0.05 -0.00 0.01 -0.04 0.07 0.02 0.06 0.17 0.02 -0.05 0.01 -0.05 -0.14 0.12 0.32 -0.22 -0.00 0.05 -0.08 -0.02 0.06 0.20 0.11 -0.09 -0.15 -0.09 -0.07 -0.19 -0.10 -0.01 -0.01 -0.09 -0.06 -0.06 0.03 -0.04 -0.20 -0.07 -0.03 -0.16 -0.08 -0.06 0.12 -0.37 -0.03 -0.21 -0.09 0.01 -0.14 -0.09 -0.33 -0.12 0.19 -0.02 -0.03 0.05 -0.05 -0.05 -0.04 0.00 0.07 0.06 -0.06 0.03 -0.01 -0.06 0.00 0.02 0.07 0.05 0.15 0.02 0.09 0.04 -0.06 -0.07 -0.02 -0.09 -0.14 -0.18 -0.12 -0.01 -0.10 -0.16 -0.05 -0.06 0.04 -0.02 0.02 0.06 -0.12 0.05 0.02 -0.04 -0.03 0.02 0.02 0.11 -0.13 0.04 0.04 0.08 0.02 0.13 0.05 0.13 0.17 0.08 -0.02 -0.04 -0.04 0.01 -0.08 0.14 -0.01 -0.04 0.15 0.04 -0.09 -0.10 0.13 -0.13 -0.13 0.37 -0.07 -0.07 0.18 -0.06 -0.24 0.07 -0.35 0.01 -0.04 -0.14 -0.03 -0.14 -0.25 0.00 -0.10 -0.11 0.02 0.10 -0.21 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.01 -0.02 -0.01 -0.00 0.00 -0.00 0.01 0.00 -0.03 -0.00 -0.02 0.01 0.01 -0.01 -0.00 -0.02 -0.01 0.02 0.03 -0.06 0.01 0.05 -0.05 -0.03 0.09 0.00 0.04 -0.04 -0.06 -0.04 -0.01 -0.04 0.05 0.06 0.06 0.16 0.11 0.02 0.03 -0.01 -0.17 -0.07 -0.00 -0.11 -0.12 -0.15 -0.10 -0.18 -0.05 -0.08 -0.02 -0.03 0.04 0.03 -0.05 0.03 -0.02 -0.13 0.03 0.07 0.12 -0.05 -0.15 0.37 -0.05 -0.13 0.17 -0.03 -0.10 0.05 -0.18 -0.37 -0.08 -0.01 -0.10 -0.12 -0.02 -0.14 -0.16 -0.01 -0.13 0.02 -0.04 -0.16 0.02 0.03 0.09 0.07 -0.07 -0.00 0.03 0.07 0.15 0.10 0.06 0.14 -0.04 0.09 -0.05 -0.02 -0.05 -0.17 -0.06 0.15 0.00 0.03 0.22 -0.12 -0.04 0.02 0.00 -0.01 0.01 0.00 -0.01 -0.02 -0.01 0.01 0.01 0.01 0.01 0.02 0.01 0.00 0.00 0.01 0.01 0.01 -0.00 -0.00 0.02 0.00 0.00 0.03 0.02 0.02 -0.01 0.04 0.00 0.02 0.01 -0.00 0.02 0.01 0.04 0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.10 -0.06 0.16 -0.08 -0.06 0.15 0.02 0.05 -0.10 -0.41 0.02 0.31 0.13 -0.30 0.36 -0.08 0.07 -0.09 0.15 -0.04 -0.01 -0.19 0.10 -0.17 -0.14 0.02 0.05 -0.09 0.08 -0.11 0.07 -0.15 0.20 0.38 -0.03 -0.02 0.18 -0.03 -0.02 -0.01 -0.01 -0.01 0.01 0.01 0.02 -0.00 -0.00 -0.00 -0.01 -0.01 -0.02 0.01 0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.03 -0.02 -0.04 0.02 0.02 0.03 -0.01 -0.02 -0.03 0.02 0.02 0.04 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.01 -0.02 0.01 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.15 0.08 -0.04 -0.11 0.06 -0.04 -0.11 0.03 -0.01 -0.05 0.06 -0.06 -0.12 0.12 -0.06 0.15 0.01 -0.08 0.03 -0.08 0.13 0.40 -0.13 0.13 0.27 0.08 -0.41 0.16 -0.00 -0.08 -0.07 -0.26 0.36 0.33 -0.10 0.08 0.02 -0.09 0.14 0.12 0.12 0.17 -0.09 -0.09 -0.15 0.00 -0.01 -0.01 0.10 0.10 0.16 -0.12 -0.12 -0.17 -0.01 0.00 -0.00 -0.00 -0.01 -0.02 0.24 0.22 0.34 -0.18 -0.17 -0.27 0.18 0.19 0.28 -0.22 -0.23 -0.36 -0.01 0.00 0.01 -0.01 0.01 0.00 -0.00 0.01 0.01 0.02 -0.02 -0.02 0.08 -0.02 -0.01 0.01 -0.01 -0.01 0.00 -0.06 -0.05 -0.02 0.00 -0.01 -0.02 0.00 -0.01 -0.03 0.00 -0.02 -0.01 -0.01 -0.02 0.03 -0.01 0.02 0.04 -0.05 0.00 0.02 -0.00 0.01 0.05 0.00 0.04 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.03 0.02 0.00 -0.02 0.02 -0.00 -0.02 -0.00 -0.01 -0.02 0.02 0.00 -0.02 0.02 0.01 0.02 0.00 -0.01 0.01 -0.01 0.02 0.06 -0.01 0.02 0.04 0.03 -0.06 0.03 -0.01 0.00 -0.01 -0.03 0.07 0.06 -0.01 0.02 0.03 -0.01 0.01 0.01 -0.05 0.06 0.01 -0.05 -0.02 0.03 0.03 0.02 -0.05 0.01 -0.01 -0.04 -0.02 0.06 0.01 0.00 0.09 0.04 0.05 -0.01 -0.00 -0.09 0.04 0.01 -0.10 -0.10 -0.11 0.01 -0.07 -0.09 -0.04 0.03 0.02 0.04 -0.12 0.08 -0.06 -0.11 -0.10 0.08 -0.08 -0.10 0.03 -0.00 -0.31 0.05 -0.07 -0.22 0.06 -0.03 -0.03 0.07 0.25 0.16 -0.03 0.02 0.26 -0.02 0.09 0.26 -0.04 0.08 0.01 -0.00 0.12 0.05 -0.09 -0.02 0.12 -0.28 -0.14 0.10 -0.18 -0.05 0.12 -0.05 0.23 -0.07 0.14 0.06 -0.07 0.23 0.14 -0.09 0.22 0.11 -0.00 -0.01 0.12 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.04 0.05 -0.05 -0.03 0.05 -0.09 0.08 0.02 0.01 0.06 -0.04 0.02 0.04 -0.06 0.08 -0.06 -0.01 -0.09 0.08 0.02 -0.06 0.05 0.04 0.03 -0.06 0.00 0.06 -0.02 -0.02 -0.06 0.06 -0.01 0.11 -0.09 -0.01 0.01 0.03 -0.16 0.00 -0.04 0.16 -0.12 0.01 -0.16 -0.19 0.01 -0.16 -0.22 0.02 -0.19 -0.09 0.01 -0.03 0.07 -0.02 0.04 0.28 -0.04 0.14 0.16 -0.04 0.13 -0.16 0.00 0.18 -0.02 0.09 0.19 -0.03 0.17 0.20 -0.04 0.18 0.23 -0.04 0.08 0.04 0.03 -0.06 -0.06 0.08 -0.25 -0.21 0.05 -0.13 -0.15 -0.06 0.18 -0.16 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.04 0.04 0.04 -0.05 -0.05 -0.07 -0.00 -0.00 0.00 -0.05 -0.05 -0.07 0.03 0.04 0.03 -0.01 -0.01 -0.03 0.45 0.43 0.65 0.13 0.14 0.18 0.03 0.04 0.07 0.05 0.03 0.08 0.13 0.13 0.19 -0.03 -0.03 -0.01 0.00 0.01 0.00 0.01 0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.13 -0.08 -0.02 0.04 0.10 0.02 -0.07 -0.08 -0.17 0.08 0.05 0.03 -0.06 -0.14 -0.02 0.01 0.02 0.09 0.28 0.25 0.44 -0.03 -0.05 0.10 0.26 0.24 0.23 0.19 0.29 0.25 -0.02 -0.08 0.08 0.19 0.24 0.04 -0.03 -0.06 -0.01 -0.04 -0.05 -0.00 -0.02 -0.00 -0.04 -0.01 0.01 -0.05 0.03 0.00 -0.01 -0.02 0.02 -0.07 -0.02 0.00 0.01 -0.01 0.01 0.02 0.05 0.00 0.04 -0.05 0.04 0.03 -0.01 -0.01 -0.03 -0.00 0.01 -0.03 -0.01 0.05 0.01 0.01 -0.00 -0.08 0.01 -0.03 0.01 0.03 -0.03 0.01 0.00 0.03 0.04 0.06 -0.05 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.18 -0.04 -0.22 0.13 -0.22 0.16 -0.10 -0.16 -0.01 -0.23 0.03 0.23 -0.14 0.18 -0.15 0.08 0.14 -0.01 0.24 0.27 0.01 0.16 0.06 -0.22 0.06 -0.08 0.37 -0.07 0.01 0.40 -0.01 0.18 -0.17 0.01 0.02 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.03 0.01 -0.02 -0.02 0.01 -0.02 -0.01 0.01 -0.00 0.02 -0.00 -0.00 0.03 -0.00 0.01 0.03 -0.00 0.01 0.00 -0.00 0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.18 -0.11 0.03 0.18 -0.14 0.20 -0.13 -0.02 -0.11 -0.10 0.13 -0.11 -0.09 0.16 -0.17 0.12 0.02 0.15 -0.18 -0.06 0.09 -0.02 -0.09 -0.24 0.23 -0.06 -0.27 0.13 0.05 0.05 -0.12 0.07 -0.08 0.01 0.00 0.05 -0.02 -0.07 0.05 -0.04 0.06 -0.06 0.01 -0.08 -0.17 0.02 -0.12 -0.15 0.03 -0.10 -0.03 0.01 0.06 0.14 -0.03 -0.03 0.21 -0.03 0.01 0.19 -0.04 0.00 0.06 -0.02 0.03 -0.01 0.05 0.10 -0.04 0.14 0.16 -0.04 0.11 0.12 -0.04 0.03 -0.03 0.07 -0.12 0.00 0.07 -0.18 -0.05 0.08 -0.18 -0.05 0.02 -0.03 -0.04 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.11 0.03 0.08 -0.01 -0.14 -0.06 0.09 0.07 0.16 -0.15 -0.04 -0.03 0.00 0.09 0.10 -0.12 -0.10 -0.19 -0.14 -0.12 -0.36 0.13 0.08 0.11 -0.11 -0.22 -0.18 -0.24 -0.11 -0.15 0.07 0.13 0.14 0.31 0.40 0.06 -0.05 -0.07 -0.00 -0.06 -0.07 0.00 -0.02 -0.01 -0.04 0.01 0.00 -0.05 0.08 -0.01 -0.01 -0.02 0.03 -0.10 -0.06 0.01 0.02 -0.05 0.02 0.03 0.02 0.01 0.06 -0.10 0.06 0.04 -0.01 -0.01 -0.04 -0.01 0.03 -0.03 -0.03 0.08 0.02 0.02 0.00 -0.11 0.03 -0.07 0.01 0.05 -0.06 0.02 0.02 0.01 0.06 0.09 -0.09 0.02 0.02 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.04 -0.04 -0.06 -0.02 -0.02 -0.03 0.05 0.05 0.07 -0.02 -0.02 -0.03 -0.04 -0.04 -0.07 0.03 0.03 0.04 -0.17 -0.17 -0.25 0.28 0.28 0.43 0.13 0.13 0.20 0.14 0.13 0.21 0.28 0.27 0.44 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.04 -0.04 -0.07 -0.02 -0.02 -0.03 0.00 0.00 0.00 0.02 0.02 0.03 0.04 0.04 0.07 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.29 0.29 0.44 0.18 0.18 0.27 -0.18 -0.17 -0.27 -0.28 -0.27 -0.44 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.02 -0.02 -0.02 -0.01 -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.13 -0.01 0.04 0.24 -0.06 0.07 -0.04 -0.14 -0.08 0.33 -0.03 0.11 0.33 -0.04 0.12 -0.03 0.17 -0.19 -0.18 -0.00 0.19 -0.03 0.26 -0.21 -0.02 0.25 -0.23 -0.02 0.11 -0.10 -0.21 0.03 0.27 -0.22 0.04 0.26 -0.10 0.01 0.12 0.01 0.08 -0.07 -0.04 0.15 -0.07 0.03 -0.02 -0.00 -0.14 -0.01 0.10 -0.06 -0.04 0.07 0.15 -0.12 -0.02 0.02 -0.02 -0.01 -0.02 0.18 -0.10 -0.22 0.22 0.03 -0.25 0.18 0.06 -0.16 -0.04 0.12 0.27 -0.21 -0.04 0.03 0.01 -0.07 0.01 -0.04 0.06 0.06 -0.01 0.07 0.08 -0.01 0.08 0.07 -0.01 0.08 0.08 -0.00 0.13 -0.17 0.04 0.01 -0.05 0.02 0.07 -0.11 0.01 0.09 -0.35 0.08 0.11 0.01 -0.04 -0.07 0.02 -0.06 -0.08 0.01 -0.05 -0.08 0.00 -0.05 -0.12 -0.08 0.15 0.02 -0.05 0.05 -0.06 -0.05 0.11 -0.06 -0.16 0.29 -0.03 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.02 -0.02 -0.02 0.02 -0.00 -0.00 -0.00 0.00 0.02 -0.01 0.00 0.01 0.03 -0.02 -0.02 -0.04 0.00 -0.01 -0.03 0.04 0.04 -0.01 -0.01 -0.10 0.04 0.02 0.02 -0.10 -0.04 -0.03 0.05 0.02 0.01 -0.04 0.24 -0.04 0.03 0.11 0.05 -0.05 0.10 -0.13 0.01 -0.15 0.01 0.00 -0.10 -0.02 -0.02 -0.13 -0.19 0.01 -0.38 0.16 -0.03 0.01 0.07 -0.02 -0.03 0.10 -0.01 -0.06 0.35 -0.08 -0.10 0.03 -0.10 -0.17 -0.02 0.02 -0.09 -0.04 -0.01 -0.14 0.01 -0.13 -0.41 -0.07 0.15 0.03 -0.05 0.07 -0.02 -0.05 0.12 -0.03 -0.17 0.32 -0.03 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 0.02 0.03 -0.03 -0.04 -0.05 0.01 0.01 0.03 -0.05 -0.04 -0.07 0.03 0.02 0.04 0.01 0.01 0.00 -0.11 -0.11 -0.13 -0.16 -0.15 -0.23 0.27 0.24 0.37 0.30 0.32 0.47 -0.19 -0.19 -0.30 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.03 0.03 0.05 -0.05 -0.05 -0.08 -0.00 0.01 0.00 0.04 0.03 0.07 -0.02 -0.02 -0.04 -0.00 -0.00 0.00 -0.01 -0.00 -0.02 -0.19 -0.20 -0.29 0.34 0.32 0.47 -0.24 -0.27 -0.38 0.16 0.15 0.23 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.02 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.01 0.06 -0.04 -0.08 -0.13 0.13 0.11 -0.09 -0.02 0.08 0.13 -0.13 -0.05 -0.03 0.04 0.01 -0.00 0.00 0.12 -0.10 -0.01 -0.11 0.25 -0.12 -0.46 -0.00 0.36 -0.16 0.49 -0.26 -0.25 0.03 0.18 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.00 0.01 0.00 0.02 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.02 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.27 -0.11 0.26 -0.01 0.06 -0.03 0.31 -0.25 -0.05 -0.05 -0.01 0.03 0.00 0.33 -0.21 -0.02 0.01 0.00 0.32 -0.26 -0.05 -0.29 -0.11 0.26 -0.01 0.04 -0.02 -0.02 -0.01 0.03 -0.03 0.34 -0.22 0.04 -0.03 -0.00 0.01 -0.00 -0.02 0.00 -0.01 0.01 0.01 -0.01 0.01 0.00 -0.00 0.01 0.01 0.01 0.03 0.02 -0.00 0.02 -0.02 0.00 -0.01 0.02 -0.00 0.01 -0.01 -0.01 0.02 -0.07 0.01 0.03 0.01 -0.01 -0.01 0.00 0.00 -0.01 -0.01 -0.01 -0.03 0.00 -0.01 -0.03 -0.01 0.01 0.01 -0.00 -0.01 -0.01 -0.00 0.01 -0.02 -0.03 0.05 -0.01 -0.03 0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 0.02 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.01 0.01 -0.01 0.00 0.09 0.08 -0.17 -0.03 -0.03 0.07 0.00 -0.00 0.00 0.40 -0.04 0.01 -0.36 0.11 -0.20 0.07 -0.00 -0.02 -0.04 0.03 -0.05 -0.13 0.24 -0.23 -0.05 -0.23 0.28 -0.18 0.05 0.03 -0.18 -0.03 0.31 0.29 -0.04 -0.19 0.14 -0.09 0.09 -0.01 0.00 0.00 -0.02 0.04 -0.01 0.02 -0.01 -0.01 -0.05 0.00 0.03 -0.00 -0.01 0.01 0.08 -0.05 -0.02 0.03 0.01 -0.03 -0.05 0.10 -0.02 -0.08 0.05 0.01 -0.11 0.10 0.01 -0.04 -0.00 0.03 0.06 -0.05 -0.02 -0.01 0.01 0.08 -0.03 0.03 -0.07 -0.08 0.02 -0.05 0.08 -0.01 0.01 0.04 -0.03 -0.04 -0.13 -0.00 -0.24 0.05 -0.01 0.10 -0.29 0.02 -0.07 -0.13 0.07 -0.16 0.49 -0.08 -0.18 -0.04 0.08 0.04 0.03 -0.15 -0.09 0.08 -0.10 -0.01 0.01 0.11 0.37 0.02 -0.05 -0.06 -0.03 0.13 0.07 -0.03 0.02 0.10 0.15 -0.30 0.04 -0.06 0.01 -0.01 -0.02 -0.00 -0.01 0.01 -0.01 0.00 -0.00 0.01 0.01 0.01 0.01 0.01 0.01 0.01 -0.01 0.00 -0.01 0.02 -0.02 0.02 -0.03 -0.00 -0.03 0.03 -0.03 0.03 -0.02 0.03 0.00 -0.06 -0.06 0.01 0.04 -0.04 0.02 -0.01 0.02 -0.02 -0.00 0.06 0.02 -0.06 -0.06 -0.10 0.10 -0.00 0.08 -0.04 -0.02 0.01 0.00 0.02 0.02 -0.03 -0.32 -0.52 0.57 0.06 -0.07 0.02 0.28 -0.05 -0.18 -0.15 0.27 -0.13 -0.07 0.05 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.01 -0.02 0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.00 0.04 -0.01 0.01 0.01 0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.01 0.01 -0.01 0.02 0.00 0.02 -0.01 0.01 -0.02 0.02 -0.03 -0.00 0.05 0.05 -0.01 -0.03 0.02 -0.01 0.01 -0.02 -0.00 0.01 0.01 -0.02 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 0.02 -0.01 0.02 0.03 -0.03 -0.04 0.03 -0.00 0.08 -0.04 -0.03 -0.03 0.03 -0.01 0.07 -0.02 -0.02 -0.01 0.01 -0.01 0.04 -0.01 -0.01 0.01 -0.01 0.02 0.06 -0.02 -0.09 -0.35 -0.01 -0.16 -0.30 0.10 -0.12 0.20 0.00 0.47 -0.05 0.02 0.10 -0.34 0.01 -0.08 -0.27 0.08 -0.14 0.36 -0.07 -0.16 0.02 -0.03 -0.01 -0.02 0.07 0.06 -0.04 0.04 -0.00 -0.01 -0.05 -0.14 -0.01 0.02 0.02 0.02 -0.05 -0.02 0.00 0.01 -0.04 -0.04 0.10 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.02 -0.03 0.03 0.01 -0.02 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.02 0.00 -0.01 -0.01 0.01 -0.00 0.01 0.00 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.02 0.01 -0.07 -0.07 0.03 -0.05 -0.03 0.01 0.03 0.10 0.01 -0.01 0.02 0.01 -0.07 -0.04 0.03 -0.06 -0.04 -0.05 0.09 -0.02 0.10 0.06 -0.14 -0.04 -0.03 0.09 -0.02 -0.04 0.08 0.38 -0.05 0.01 -0.39 0.09 -0.21 -0.05 0.12 -0.04 0.09 -0.08 -0.05 0.04 -0.19 0.10 0.02 0.13 -0.25 0.07 0.16 -0.26 0.17 0.10 -0.23 -0.18 0.09 0.20 0.14 0.09 -0.29 -0.02 -0.00 0.01 0.01 -0.02 0.01 0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.02 0.01 0.00 0.02 -0.02 0.03 0.04 -0.05 -0.05 0.05 -0.01 0.07 -0.04 -0.02 -0.05 0.06 -0.01 0.07 -0.03 -0.02 -0.00 0.01 -0.01 -0.00 0.00 0.01 -0.01 0.02 0.02 -0.01 0.01 0.00 0.03 -0.01 0.03 0.01 -0.01 -0.01 -0.02 -0.01 -0.03 0.00 -0.01 0.01 -0.03 0.01 0.00 0.00 0.00 -0.02 0.03 0.00 -0.01 -0.04 0.05 -0.09 0.04 -0.28 -0.23 0.13 -0.22 -0.15 0.03 0.09 0.39 0.04 -0.04 0.10 0.08 -0.35 -0.17 0.13 -0.23 -0.21 -0.23 0.43 -0.09 -0.00 -0.01 0.02 0.02 0.00 -0.01 -0.01 0.01 -0.02 -0.04 0.00 0.00 0.07 -0.02 0.03 0.00 -0.02 0.02 -0.02 0.02 -0.01 0.00 -0.01 0.01 0.00 -0.02 0.02 -0.00 -0.02 0.03 -0.06 -0.02 0.09 0.08 -0.02 -0.07 0.01 -0.03 0.05 0.03 0.01 -0.02 -0.03 0.03 -0.00 0.01 -0.00 -0.00 0.02 -0.01 -0.01 -0.01 0.04 -0.02 -0.01 -0.05 0.04 -0.00 -0.01 0.01 0.08 -0.14 -0.01 -0.21 0.10 0.10 0.13 -0.16 0.04 -0.16 0.06 0.04 0.02 0.00 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.02 0.00 -0.00 -0.02 -0.05 0.00 -0.04 -0.04 0.02 -0.01 0.02 0.01 0.05 -0.00 0.01 0.01 -0.04 -0.01 -0.02 -0.05 0.01 -0.02 0.06 -0.02 -0.02 -0.01 0.02 0.01 0.01 -0.04 -0.04 0.03 -0.02 0.02 0.01 0.03 0.09 0.01 -0.01 -0.02 -0.02 0.06 0.02 -0.01 -0.01 0.04 0.04 -0.09 0.02 0.26 -0.07 0.06 0.12 0.01 0.06 -0.09 0.03 -0.01 0.05 -0.06 -0.03 0.02 -0.06 -0.01 -0.09 -0.04 0.05 -0.01 0.03 -0.11 0.14 -0.23 0.26 0.04 0.27 -0.25 0.18 -0.13 0.09 -0.16 -0.01 0.28 0.31 -0.03 -0.22 0.20 -0.08 -0.00 -0.07 -0.00 0.06 0.02 -0.05 0.02 0.02 0.02 -0.02 -0.05 0.01 0.03 0.02 -0.08 0.04 0.05 0.07 -0.08 0.10 0.15 -0.17 -0.22 0.25 -0.03 0.30 -0.14 -0.12 -0.25 0.29 -0.06 0.31 -0.12 -0.09 -0.02 -0.02 -0.03 -0.01 0.01 0.01 0.01 -0.01 0.01 -0.04 0.02 0.02 0.14 -0.02 0.10 0.08 -0.05 -0.01 -0.09 -0.03 -0.18 0.02 -0.02 -0.00 -0.03 0.03 0.02 0.08 0.00 -0.02 0.02 0.03 -0.00 0.03 -0.03 0.02 -0.04 0.12 0.14 -0.07 0.08 0.02 -0.04 -0.06 -0.20 -0.02 0.02 -0.01 0.03 0.02 0.02 -0.03 0.09 0.01 0.04 -0.02 0.01 0.06 -0.00 -0.01 0.05 -0.02 0.03 -0.05 0.02 0.01 0.11 -0.02 0.02 0.01 0.00 -0.01 -0.05 -0.01 0.02 0.01 0.01 -0.06 0.07 -0.15 0.14 0.02 0.14 -0.15 0.09 -0.04 -0.00 -0.05 -0.01 0.10 0.14 -0.02 -0.11 0.09 -0.03 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 0.01 -0.00 -0.01 0.01 0.03 -0.05 0.01 -0.05 0.02 0.02 0.04 -0.05 0.01 -0.05 0.02 0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 0.09 -0.01 0.13 -0.14 0.39 -0.21 -0.12 -0.38 -0.01 -0.21 0.06 -0.02 -0.10 0.01 -0.34 0.24 0.14 0.46 0.03 -0.16 -0.03 0.24 -0.03 0.01 0.01 0.00 -0.02 0.01 0.07 -0.02 -0.02 -0.06 -0.03 -0.01 0.00 -0.01 -0.00 0.01 0.05 -0.05 0.00 -0.01 0.07 -0.02 0.03 0.02 -0.01 0.07 -0.03 0.02 -0.01 0.02 0.01 0.01 -0.00 0.00 -0.04 -0.02 -0.04 -0.05 -0.03 -0.02 0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 0.05 -0.02 -0.00 0.02 0.01 0.00 -0.03 0.04 0.00 0.01 -0.00 -0.02 0.01 0.03 0.01 0.01 -0.02 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.02 -0.03 0.00 -0.04 0.02 0.02 0.01 -0.02 0.00 -0.02 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.01 -0.01 0.02 -0.06 0.05 0.02 0.07 -0.00 0.04 -0.02 0.01 0.02 -0.00 0.06 -0.05 -0.03 -0.09 -0.01 0.02 0.01 -0.04 0.00 0.08 0.05 -0.02 -0.12 0.00 0.41 -0.10 -0.20 -0.43 -0.20 -0.05 0.11 -0.08 -0.05 0.01 0.32 -0.29 0.04 -0.10 0.45 -0.08 0.21 0.04 -0.06 0.07 -0.02 0.02 -0.00 0.02 0.00 0.01 -0.00 0.00 -0.04 -0.02 -0.04 -0.04 -0.03 -0.02 0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 0.02 -0.01 -0.00 0.02 0.00 0.00 -0.02 0.03 -0.00 0.02 0.01 -0.02 0.01 0.03 0.03 0.01 -0.03 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 0.02 0.03 0.00 -0.00 -0.02 0.00 0.00 -0.00 -0.01 0.02 0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.00 0.09 -0.06 0.06 0.01 0.04 -0.02 0.02 0.02 -0.04 -0.18 -0.00 -0.06 0.05 -0.09 0.02 0.05 0.03 0.08 -0.08 -0.08 -0.02 -0.09 -0.26 0.04 0.02 -0.31 0.08 -0.06 0.22 -0.32 -0.19 0.23 0.31 -0.02 0.16 0.30 0.40 0.04 -0.34 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.01 0.01 -0.01 0.02 0.02 -0.02 -0.02 -0.02 -0.01 0.02 -0.00 0.01 -0.04 0.05 -0.01 0.05 -0.01 -0.02 0.00 -0.00 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.01 0.02 -0.03 0.05 0.00 0.05 -0.02 0.02 -0.05 0.01 0.01 0.01 0.02 -0.03 -0.03 -0.08 0.00 0.01 0.04 -0.04 -0.01 -0.01 -0.01 0.00 0.01 0.01 -0.05 0.00 0.04 0.06 0.03 0.00 -0.03 0.02 0.01 0.01 -0.05 0.03 -0.02 0.03 -0.10 -0.00 -0.05 0.03 0.00 0.47 -0.17 0.12 -0.02 0.10 0.04 0.04 -0.01 0.01 -0.28 -0.13 -0.25 -0.29 -0.18 -0.13 -0.00 -0.04 -0.07 -0.01 -0.04 0.02 0.05 0.30 -0.11 -0.02 0.22 0.03 0.03 -0.21 0.31 -0.01 0.09 0.03 -0.09 0.05 0.15 0.10 0.03 -0.12 -0.02 0.01 0.01 0.00 -0.01 0.01 0.00 0.01 -0.01 -0.01 -0.00 0.01 0.02 -0.02 0.00 0.01 0.01 -0.03 0.02 0.04 -0.04 -0.08 0.12 -0.02 0.14 -0.05 -0.06 -0.10 0.14 -0.03 0.15 -0.04 -0.05 -0.00 -0.04 0.19 0.02 0.02 0.02 0.02 0.03 0.02 0.05 -0.03 -0.06 -0.25 0.02 -0.18 -0.17 0.09 -0.03 0.13 0.04 0.24 -0.04 -0.02 -0.06 0.12 0.05 0.10 0.24 -0.04 0.06 -0.27 0.10 0.07 -0.05 0.05 -0.04 0.05 -0.20 -0.25 0.12 -0.12 -0.02 0.06 0.10 0.25 -0.02 -0.04 -0.07 0.04 0.13 0.13 -0.09 0.23 0.11 0.19 -0.26 0.02 0.04 -0.01 0.01 0.00 0.01 0.00 0.01 0.00 0.00 -0.03 -0.01 -0.02 -0.02 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.01 0.05 -0.01 -0.00 0.03 0.01 0.01 -0.04 0.05 -0.02 0.02 0.03 0.00 0.01 0.02 0.03 -0.00 -0.02 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.01 0.01 0.02 -0.02 0.00 -0.04 0.02 0.01 0.01 -0.02 0.01 -0.04 0.01 0.01 -0.00 0.01 -0.03 -0.01 -0.01 -0.01 0.08 0.07 -0.01 -0.01 0.01 0.01 0.06 -0.01 0.07 0.02 -0.03 -0.03 -0.03 -0.03 -0.04 0.01 0.01 0.01 0.01 -0.03 -0.03 -0.08 0.01 -0.01 0.05 -0.03 -0.01 -0.08 -0.06 0.01 0.11 0.04 -0.40 0.11 0.20 0.43 0.21 0.04 -0.14 -0.08 -0.05 0.03 0.34 -0.32 0.04 -0.08 0.42 -0.12 0.20 0.08 -0.06 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.01 0.01 0.02 -0.04 0.00 -0.02 0.01 0.01 0.03 -0.03 0.00 -0.03 0.01 0.01 0.01 0.01 -0.03 0.03 0.10 -0.01 0.00 0.00 -0.00 -0.04 -0.10 0.02 -0.08 0.15 -0.41 0.24 0.13 0.43 -0.01 0.23 -0.09 -0.02 -0.10 0.02 -0.34 0.23 0.14 0.38 0.04 -0.18 0.02 0.22 -0.04 -0.00 -0.02 0.01 0.01 0.04 -0.01 -0.01 0.04 0.05 0.01 -0.01 -0.06 -0.01 -0.00 0.02 0.03 -0.06 -0.02 0.01 0.01 -0.04 -0.01 0.06 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.01 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.02 0.01 0.01 0.01 -0.01 0.00 0.01 -0.02 0.01 -0.11 0.24 -0.06 0.16 -0.05 -0.08 0.12 -0.18 0.04 -0.24 0.04 0.12 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.01 0.02 -0.02 -0.01 0.00 -0.01 -0.01 -0.00 0.02 -0.00 -0.30 0.10 -0.08 -0.01 -0.08 -0.04 0.03 0.11 0.06 0.17 0.10 0.19 0.19 0.16 0.08 -0.02 -0.06 -0.06 -0.03 -0.07 -0.03 0.09 0.25 -0.05 -0.02 0.25 0.01 0.03 -0.19 0.27 -0.08 0.18 0.14 -0.02 0.12 0.23 0.23 0.03 -0.23 0.03 -0.05 0.01 -0.02 0.02 0.00 -0.02 0.02 0.00 -0.02 0.02 0.00 0.05 -0.00 -0.03 -0.01 0.00 0.01 -0.03 0.01 0.02 0.23 -0.43 0.14 -0.37 0.12 0.17 -0.22 0.33 -0.07 0.45 -0.08 -0.23 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.02 -0.00 -0.14 0.05 -0.04 -0.00 -0.04 -0.02 0.01 0.04 0.03 0.09 0.05 0.10 0.09 0.08 0.04 -0.01 -0.02 -0.02 -0.01 -0.03 -0.01 0.03 0.09 -0.02 -0.01 0.09 0.01 0.01 -0.07 0.10 -0.03 0.07 0.05 -0.01 0.05 0.09 0.08 0.01 -0.08 0.02 -0.04 0.02 -0.03 0.10 -0.05 0.00 -0.00 0.00 -0.09 -0.01 0.07 0.04 -0.01 -0.03 0.25 -0.19 -0.04 -0.00 0.01 -0.01 -0.09 0.16 -0.06 -0.23 0.17 0.04 -0.22 0.18 0.03 -0.18 0.03 0.10 -0.20 0.16 0.03 -0.17 0.05 0.01 -0.09 0.14 0.02 0.09 -0.03 0.02 -0.23 -0.00 -0.07 -0.17 0.09 0.02 0.14 0.02 0.20 0.10 -0.04 -0.06 0.15 0.01 0.02 0.22 -0.04 0.01 -0.00 0.01 0.00 0.05 -0.07 -0.04 -0.04 0.20 0.13 -0.13 0.14 -0.01 -0.03 -0.11 -0.21 0.07 -0.08 0.04 0.01 -0.13 -0.05 0.09 -0.20 -0.05 -0.02 0.00 -0.00 0.03 -0.01 0.01 -0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.02 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.02 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 0.01 -0.01 -0.03 0.03 0.01 0.01 -0.01 -0.01 -0.01 0.01 0.00 0.01 -0.01 -0.02 -0.02 0.03 0.04 0.06 -0.05 0.05 0.08 -0.08 0.11 -0.26 0.10 -0.13 0.05 0.05 0.06 -0.10 0.02 -0.24 0.02 0.15 -0.03 -0.02 -0.04 0.29 -0.06 0.11 -0.12 0.23 0.15 -0.12 0.03 -0.10 0.09 0.02 -0.04 0.05 -0.08 -0.13 -0.17 -0.01 -0.26 -0.15 0.04 -0.00 -0.05 0.03 0.04 -0.13 -0.01 0.10 -0.27 0.03 0.07 0.05 -0.09 -0.11 -0.01 0.10 0.02 -0.11 0.05 -0.13 -0.03 -0.13 -0.28 0.08 -0.13 -0.03 0.03 -0.03 0.02 0.05 -0.16 0.07 0.09 -0.24 0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.01 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.01 0.01 -0.04 0.02 -0.00 0.00 0.00 0.03 0.00 -0.02 -0.02 0.00 0.01 -0.10 0.08 0.01 -0.00 -0.00 0.00 0.05 -0.09 0.03 0.06 -0.05 -0.01 0.07 -0.05 -0.01 0.09 -0.02 -0.04 0.14 -0.11 -0.02 -0.21 0.04 -0.20 -0.08 0.18 0.25 0.07 -0.00 0.12 0.14 -0.01 0.13 0.14 -0.01 0.14 0.08 -0.01 0.15 0.11 -0.02 0.07 -0.12 -0.07 -0.10 -0.05 0.07 -0.21 0.34 -0.01 -0.09 0.01 -0.05 -0.14 0.02 -0.10 -0.14 0.01 -0.10 -0.18 -0.00 -0.06 -0.17 0.05 -0.10 -0.09 0.03 0.16 0.13 -0.04 -0.02 0.23 0.12 -0.35 0.02 -0.02 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.02 0.02 -0.01 0.00 0.01 0.00 -0.00 0.00 0.01 0.00 -0.01 0.05 0.02 -0.05 -0.03 -0.01 0.03 0.04 0.06 -0.07 0.00 -0.04 0.02 -0.00 0.06 -0.04 -0.06 -0.11 0.13 -0.17 -0.28 0.30 -0.21 0.51 -0.21 0.15 -0.06 -0.06 -0.09 0.12 -0.01 0.47 -0.04 -0.30 0.01 0.01 -0.02 0.05 -0.01 0.00 -0.03 0.05 0.01 -0.02 0.00 -0.01 0.05 -0.00 0.01 0.03 -0.02 -0.01 -0.03 0.01 -0.04 -0.03 0.00 0.01 -0.03 0.01 0.00 -0.03 0.00 -0.00 -0.03 0.01 0.01 0.01 -0.02 -0.02 -0.01 0.05 0.03 -0.03 0.03 -0.01 -0.00 -0.03 -0.05 0.01 -0.02 0.00 0.02 -0.04 -0.01 0.01 -0.03 -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.02 -0.02 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.00 0.01 -0.04 0.01 0.02 0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.14 0.10 -0.14 -0.13 -0.02 -0.02 0.30 -0.08 -0.02 -0.05 -0.01 -0.02 -0.18 0.11 -0.08 -0.13 0.04 0.02 -0.12 0.07 0.01 0.17 -0.07 0.26 0.01 0.10 -0.37 0.43 -0.06 -0.15 -0.21 -0.13 0.26 0.14 0.07 -0.01 0.10 -0.18 0.29 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.01 0.00 -0.01 0.00 0.00 0.01 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.21 -0.17 0.35 0.01 0.05 -0.13 -0.02 -0.15 0.28 -0.34 0.16 0.08 0.20 -0.20 0.07 0.03 0.09 -0.08 -0.01 0.04 -0.13 -0.09 0.14 -0.18 0.01 0.09 -0.03 -0.15 0.14 -0.11 -0.08 -0.14 0.06 0.32 0.04 -0.15 0.31 -0.17 0.10 -0.02 0.11 -0.06 -0.03 0.01 0.01 -0.05 -0.08 0.09 0.02 -0.03 0.00 0.10 0.02 -0.08 -0.05 -0.08 0.09 0.21 0.34 -0.36 0.15 -0.19 0.03 0.44 -0.12 -0.22 -0.25 0.43 -0.11 -0.21 0.08 0.08 0.01 0.01 -0.00 0.02 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.00 0.00 0.03 0.01 -0.00 0.03 -0.02 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.01 -0.02 -0.00 -0.01 -0.01 0.01 -0.01 -0.00 0.01 0.00 0.01 -0.01 0.00 0.00 0.03 0.00 -0.03 0.02 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.01 0.00 -0.02 -0.01 0.01 -0.01 -0.02 0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.01 0.01 0.01 0.00 0.00 0.01 -0.01 0.01 -0.05 0.03 0.01 0.15 0.00 -0.11 -0.07 -0.12 0.13 -0.05 0.17 -0.08 0.04 -0.04 -0.00 -0.03 -0.06 0.07 0.14 0.22 -0.24 -0.22 0.38 -0.09 -0.34 0.15 0.13 0.24 -0.33 0.03 0.41 -0.10 -0.18 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.01 -0.01 -0.01 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.02 -0.00 -0.02 -0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.02 -0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.01 0.00 -0.02 0.01 0.00 -0.00 -0.00 0.02 0.00 -0.01 -0.02 0.00 0.01 -0.05 0.04 0.01 0.00 -0.01 0.00 0.03 -0.06 0.01 0.05 -0.03 -0.01 0.04 -0.04 -0.00 0.06 -0.01 -0.02 0.14 -0.11 -0.02 -0.08 0.03 0.12 -0.07 0.09 -0.11 0.02 -0.01 -0.08 -0.07 -0.16 0.18 -0.10 0.21 0.16 0.09 0.06 0.18 -0.00 -0.00 -0.06 0.23 0.11 0.20 0.17 -0.10 0.28 0.12 -0.09 -0.12 0.03 -0.03 0.08 0.13 0.12 -0.19 -0.28 0.11 -0.14 -0.11 -0.09 -0.17 0.01 -0.02 0.06 -0.10 -0.17 -0.17 0.09 -0.08 -0.31 0.13 -0.04 0.05 -0.02 -0.00 0.02 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 0.01 -0.02 -0.01 -0.02 -0.00 -0.01 0.01 -0.00 -0.00 0.01 0.02 0.07 0.00 0.00 0.03 0.00 0.01 0.02 -0.07 0.01 -0.01 -0.04 0.02 -0.02 -0.02 0.03 0.02 -0.03 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 0.01 0.04 0.02 -0.01 -0.05 -0.00 -0.00 -0.02 -0.03 0.01 -0.01 0.17 -0.00 0.05 0.26 -0.07 0.05 0.01 -0.06 0.21 -0.10 0.01 0.03 0.45 -0.17 0.15 0.27 0.09 -0.07 0.41 0.06 -0.30 0.01 -0.01 -0.01 -0.03 0.07 0.07 -0.02 0.10 0.06 -0.01 -0.01 0.13 0.02 -0.04 0.01 -0.16 0.17 0.08 0.00 0.18 -0.03 -0.06 0.20 -0.09 0.05 -0.02 -0.00 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.07 -0.00 -0.02 0.05 -0.02 0.05 0.00 -0.01 0.01 -0.01 0.00 0.02 -0.01 0.03 -0.01 0.01 0.07 -0.02 -0.03 0.03 -0.05 0.02 0.00 -0.08 0.07 -0.04 -0.05 0.07 0.03 -0.06 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.01 0.00 0.02 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 0.00 0.01 -0.00 0.00 -0.02 -0.00 -0.01 -0.04 0.01 -0.01 0.00 0.02 -0.03 0.02 -0.00 -0.00 -0.06 0.03 -0.02 -0.05 -0.01 0.01 -0.06 0.00 0.04 0.00 0.00 -0.00 0.01 -0.03 -0.01 -0.01 0.02 0.01 -0.03 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.02 -0.01 0.00 -0.02 -0.00 0.01 -0.02 0.01 0.29 -0.16 0.02 -0.10 0.03 -0.02 0.01 -0.00 0.00 0.51 -0.00 -0.12 0.34 -0.23 0.34 -0.01 0.03 -0.03 -0.05 0.00 0.04 0.10 -0.13 0.10 -0.07 -0.10 0.13 0.05 -0.06 0.11 0.08 0.04 -0.27 0.26 -0.08 -0.12 0.18 0.05 -0.11 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.02 -0.00 -0.00 -0.00 -0.01 0.01 -0.02 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.02 -0.01 0.00 0.00 -0.01 0.02 -0.01 0.00 0.01 0.06 -0.05 -0.01 0.04 0.02 -0.04 0.03 0.01 -0.02 0.01 -0.01 0.01 0.00 0.07 -0.00 -0.05 0.04 -0.01 0.01 -0.00 0.03 0.01 -0.02 0.01 -0.07 0.04 0.01 0.01 0.06 -0.05 -0.01 0.07 -0.03 0.04 -0.04 0.03 -0.01 0.01 -0.01 -0.01 -0.00 0.01 0.06 0.01 -0.02 0.06 -0.04 0.05 -0.01 0.07 -0.07 0.06 -0.00 -0.07 0.23 -0.31 0.21 -0.16 -0.29 0.34 0.09 -0.13 0.30 -0.12 -0.05 0.38 -0.32 0.13 0.15 -0.23 -0.09 0.17 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.04 -0.03 -0.00 -0.02 0.01 0.03 -0.01 0.02 -0.03 0.02 -0.01 0.00 -0.09 -0.01 -0.01 -0.15 0.04 -0.02 -0.00 0.04 -0.12 0.05 -0.01 -0.01 -0.15 0.08 -0.02 -0.18 -0.04 0.00 -0.17 0.05 0.12 0.02 -0.04 -0.05 -0.09 0.20 0.18 -0.06 0.30 0.19 -0.01 -0.03 0.36 0.05 -0.08 0.00 -0.22 0.23 0.10 -0.03 0.38 0.09 -0.26 0.31 -0.15 -0.05 0.02 0.01 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.03 -0.03 -0.02 0.00 -0.01 0.01 -0.01 -0.00 0.01 -0.06 0.01 -0.04 0.03 0.01 -0.07 -0.00 -0.00 0.01 0.01 0.02 -0.03 0.04 -0.00 -0.00 0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.02 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.02 -0.08 -0.02 0.01 0.05 0.02 -0.02 0.05 -0.03 -0.01 -0.08 0.19 -0.16 0.24 0.13 0.16 0.23 0.08 0.10 0.33 0.00 0.02 -0.03 -0.09 0.09 -0.00 0.20 -0.08 0.28 0.02 -0.30 -0.01 -0.02 -0.01 -0.07 -0.15 0.08 0.25 0.19 0.01 0.18 0.16 0.07 0.21 -0.01 0.03 -0.03 0.17 -0.08 -0.00 -0.06 -0.04 0.25 -0.13 -0.11 0.05 0.00 -0.01 0.02 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.03 0.01 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.02 -0.07 0.02 -0.01 0.03 0.04 -0.05 0.01 0.03 -0.01 -0.01 0.02 -0.02 0.03 0.04 -0.01 -0.03 0.04 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.02 0.01 0.02 -0.01 -0.01 0.01 -0.01 0.00 0.01 -0.00 -0.01 0.00 0.00 -0.03 -0.01 -0.00 0.03 0.01 -0.01 0.02 -0.00 0.01 -0.03 -0.07 -0.05 0.06 0.12 0.03 0.08 0.00 -0.12 0.10 0.02 -0.04 -0.01 0.22 0.11 0.23 -0.35 -0.02 -0.15 -0.00 0.48 -0.05 0.00 -0.01 -0.05 -0.08 -0.06 0.14 0.08 0.14 0.18 -0.07 -0.03 0.16 -0.03 0.03 0.00 0.02 0.00 0.00 0.04 -0.19 -0.19 0.28 -0.10 0.04 -0.04 0.00 0.03 0.00 -0.00 -0.00 0.00 0.01 0.00 0.01 0.00 0.01 -0.03 -0.03 -0.02 0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.18 -0.12 -0.11 0.05 -0.11 -0.17 0.01 -0.08 0.20 0.00 0.01 -0.00 0.00 0.03 0.04 0.00 -0.02 0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 0.01 -0.00 0.00 0.02 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.02 0.00 -0.01 0.10 -0.02 0.04 0.08 -0.00 0.03 0.02 0.02 0.12 0.00 0.02 0.01 -0.11 -0.11 -0.17 0.15 0.04 -0.02 -0.07 -0.19 0.07 0.01 0.01 0.02 0.06 -0.12 -0.09 -0.06 0.04 -0.02 -0.15 -0.05 -0.09 0.01 -0.01 0.00 -0.02 0.02 0.02 0.01 0.03 -0.01 -0.02 0.05 -0.02 0.01 -0.03 0.04 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.06 0.02 0.01 0.00 -0.03 0.01 0.01 0.03 0.02 0.00 -0.03 -0.02 -0.32 -0.06 -0.20 0.11 -0.23 -0.35 0.12 -0.12 0.23 0.03 0.37 -0.03 0.26 0.12 0.15 -0.27 -0.06 0.15 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.01 0.02 -0.01 -0.01 0.01 -0.02 0.00 0.02 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.00 -0.01 0.02 -0.01 0.01 0.00 0.01 0.01 0.01 0.02 0.02 0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.02 -0.01 0.01 -0.01 0.00 0.01 -0.01 0.02 0.02 0.06 -0.11 -0.03 0.09 0.04 -0.11 0.01 -0.02 0.00 -0.04 0.01 -0.01 -0.01 0.08 0.03 -0.08 0.04 -0.01 0.37 -0.18 0.01 -0.02 -0.03 -0.02 -0.00 0.00 -0.00 -0.15 0.21 0.34 0.04 0.46 -0.04 0.00 0.03 -0.00 -0.01 0.02 0.02 -0.16 -0.10 -0.10 0.04 -0.19 -0.15 0.09 -0.10 0.21 -0.00 -0.27 -0.02 -0.17 -0.11 -0.13 0.22 0.06 -0.13 0.00 -0.03 0.01 0.04 -0.00 -0.02 -0.02 0.02 0.00 0.01 -0.04 0.02 0.03 0.00 -0.02 -0.01 0.01 -0.00 -0.03 0.02 0.01 -0.08 0.13 -0.03 -0.13 0.05 0.06 -0.08 0.11 -0.02 -0.13 0.04 0.07 -0.00 -0.00 0.02 -0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.05 0.02 -0.06 0.12 -0.07 0.10 0.42 -0.02 0.14 0.04 -0.19 0.44 0.06 -0.01 0.01 -0.16 -0.04 -0.15 -0.18 0.03 -0.18 -0.26 0.12 0.19 0.00 0.01 0.03 0.07 -0.00 -0.13 -0.09 -0.04 -0.11 -0.03 -0.01 -0.08 0.00 -0.02 0.00 -0.02 0.10 0.10 0.01 0.02 -0.01 0.02 0.14 -0.07 -0.03 0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.00 -0.00 -0.02 -0.02 -0.02 -0.01 -0.01 -0.00 -0.00 0.01 0.01 0.13 0.09 0.07 -0.05 0.01 0.12 0.05 0.03 -0.12 0.00 -0.07 -0.01 -0.04 -0.07 -0.08 0.06 0.05 -0.09 0.00 -0.01 0.01 0.02 -0.00 -0.01 -0.01 0.01 0.00 0.01 -0.02 0.01 0.01 0.00 -0.01 -0.02 0.01 0.00 -0.01 0.02 -0.00 -0.04 0.08 -0.02 -0.07 0.03 0.03 -0.04 0.07 -0.01 -0.07 0.02 0.03 0.01 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.09 -0.01 0.00 -0.01 0.01 0.01 -0.01 -0.06 -0.05 -0.00 -0.01 -0.01 0.11 0.07 0.14 -0.11 -0.02 0.00 0.06 0.16 -0.07 -0.03 -0.00 0.02 -0.05 0.22 0.07 0.13 -0.30 -0.12 0.38 0.14 -0.14 0.02 -0.01 -0.00 -0.04 -0.04 -0.06 -0.02 0.11 0.07 -0.15 -0.02 0.02 -0.03 0.03 -0.01 0.02 -0.01 0.01 -0.00 -0.01 -0.01 -0.15 0.01 0.06 -0.08 0.10 -0.09 -0.01 0.02 -0.03 -0.03 -0.02 0.01 0.10 -0.11 0.09 -0.07 -0.08 0.14 0.02 -0.04 0.09 0.08 0.32 -0.22 0.39 0.06 0.07 -0.09 -0.04 0.07 -0.01 0.03 -0.02 -0.04 0.00 0.03 0.03 -0.02 -0.01 -0.02 0.05 -0.02 -0.03 -0.01 0.02 0.03 -0.02 -0.01 0.03 -0.03 -0.00 0.09 -0.15 0.04 0.15 -0.06 -0.06 0.10 -0.15 0.03 0.16 -0.04 -0.07 -0.01 -0.00 0.03 0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.01 0.00 0.03 0.03 -0.05 0.09 -0.06 -0.03 0.00 -0.05 0.07 0.01 0.01 0.02 -0.10 -0.13 -0.18 0.10 0.05 -0.09 -0.10 -0.11 0.09 0.01 -0.03 -0.03 -0.03 0.24 0.03 -0.12 0.16 0.02 0.06 0.01 0.30 -0.02 0.02 0.01 0.03 -0.00 0.01 0.04 -0.20 -0.18 0.26 -0.04 0.01 0.02 -0.05 0.06 0.02 -0.01 -0.01 -0.01 -0.01 -0.00 -0.16 0.10 0.17 -0.10 0.17 -0.13 -0.02 0.01 -0.02 -0.02 -0.01 0.02 0.20 0.06 0.12 -0.09 -0.09 0.19 0.13 -0.01 -0.07 0.05 0.19 -0.13 0.23 -0.05 -0.06 -0.05 0.06 -0.07 -0.00 0.02 -0.01 -0.02 0.00 0.01 0.01 -0.01 -0.00 -0.01 0.02 -0.01 -0.01 -0.00 0.01 0.02 -0.01 -0.00 0.02 -0.01 -0.00 0.05 -0.08 0.02 0.08 -0.03 -0.03 0.05 -0.07 0.01 0.08 -0.02 -0.04 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.09 0.02 -0.04 0.11 -0.05 -0.01 -0.02 -0.15 0.03 0.00 -0.01 -0.01 0.04 0.06 0.08 -0.07 -0.02 0.03 0.03 0.07 -0.03 -0.01 -0.00 0.01 -0.01 0.14 -0.00 0.02 -0.14 -0.09 0.19 0.07 -0.04 0.01 0.00 -0.01 0.04 -0.09 -0.07 -0.03 0.07 0.15 -0.19 -0.06 0.04 -0.15 -0.12 0.26 -0.00 0.02 -0.02 -0.00 0.01 0.00 0.23 0.07 0.04 -0.08 -0.28 -0.03 -0.02 -0.01 0.03 0.03 -0.01 0.00 -0.03 0.28 -0.06 0.03 -0.22 -0.14 0.32 -0.05 -0.12 -0.05 0.05 0.22 -0.14 -0.14 -0.16 -0.17 0.16 -0.18 -0.01 0.05 -0.03 -0.07 0.01 0.04 0.04 -0.03 -0.01 -0.03 0.07 -0.03 -0.04 -0.01 0.03 0.05 -0.04 -0.01 0.05 -0.04 -0.01 0.15 -0.23 0.06 0.24 -0.09 -0.10 0.15 -0.21 0.04 0.23 -0.06 -0.11 -0.01 0.01 -0.00 -0.01 0.01 0.02 -0.01 0.01 -0.01 -0.01 0.02 -0.02 -0.10 0.01 -0.03 0.26 -0.07 0.02 -0.01 -0.26 0.16 0.02 -0.01 -0.01 -0.04 0.05 0.01 -0.10 -0.02 -0.01 -0.07 0.07 0.04 -0.01 0.02 0.03 0.02 -0.15 -0.01 0.09 -0.15 -0.02 -0.01 0.00 -0.26 0.02 -0.03 -0.00 -0.05 0.02 -0.01 -0.02 0.16 0.10 -0.18 0.07 -0.03 0.02 0.09 -0.14 -0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.03 -0.08 -0.10 0.06 0.02 0.06 0.02 -0.01 -0.00 -0.01 0.00 -0.02 -0.02 -0.13 0.01 0.01 0.21 0.04 -0.24 0.06 0.02 0.01 -0.04 -0.06 0.02 0.13 0.15 0.05 -0.13 0.17 -0.00 0.01 -0.01 -0.02 0.00 0.01 0.01 -0.01 0.00 -0.01 0.02 -0.01 -0.01 -0.00 0.01 0.02 -0.02 -0.00 0.02 -0.01 -0.01 0.04 -0.08 0.01 0.08 -0.02 -0.04 0.05 -0.07 0.01 0.08 -0.02 -0.04 -0.02 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.02 -0.04 -0.02 0.41 -0.09 0.16 -0.31 0.15 0.04 0.09 0.54 0.05 0.01 -0.01 0.01 0.07 -0.04 0.01 -0.11 0.03 -0.15 -0.05 0.18 0.02 -0.01 0.02 0.02 0.01 -0.09 -0.00 0.09 -0.16 -0.04 0.05 0.03 -0.19 -0.00 -0.03 -0.00 -0.01 0.18 0.18 0.01 -0.03 -0.03 0.10 0.20 -0.12 -0.08 -0.00 0.06 0.01 0.00 -0.00 0.00 -0.00 0.00 0.02 0.00 -0.00 -0.05 -0.07 -0.04 -0.01 -0.00 -0.00 0.00 -0.00 0.01 0.05 0.04 0.03 -0.02 -0.01 0.04 0.04 0.00 -0.04 -0.00 0.05 0.02 0.02 -0.04 -0.04 -0.04 0.04 -0.05 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.02 0.03 0.00 0.00 -0.01 -0.02 0.01 -0.02 -0.00 -0.00 -0.00 0.06 0.00 0.00 -0.01 -0.00 -0.01 0.01 0.05 0.03 0.01 0.01 0.02 -0.04 -0.13 -0.15 0.05 0.07 -0.14 -0.09 -0.02 0.08 -0.02 -0.03 -0.00 -0.08 0.43 0.10 0.04 -0.19 -0.11 0.45 0.16 0.09 -0.01 0.01 0.02 -0.09 -0.01 -0.05 0.05 -0.06 -0.21 0.17 -0.04 0.02 0.08 0.07 -0.15 -0.03 0.01 0.01 -0.00 0.00 0.01 0.09 -0.11 -0.18 0.16 -0.07 0.16 0.01 -0.02 0.03 0.01 0.01 -0.02 -0.18 0.04 -0.13 0.09 0.09 -0.19 -0.08 0.03 -0.03 -0.02 -0.13 0.07 -0.14 0.08 0.09 0.04 -0.08 0.10 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.05 -0.00 -0.01 -0.02 0.01 0.01 -0.02 -0.03 -0.01 0.01 0.41 0.12 -0.15 -0.01 -0.17 -0.19 0.07 0.28 0.25 0.02 -0.01 -0.00 -0.02 0.09 0.07 -0.17 -0.03 -0.01 -0.01 0.12 0.00 0.01 -0.01 -0.00 0.03 0.04 -0.05 -0.10 0.12 0.00 -0.08 -0.04 0.11 0.02 0.03 0.01 -0.11 -0.28 -0.34 -0.01 0.19 0.02 -0.25 -0.33 0.20 0.01 0.04 -0.06 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.04 -0.03 -0.03 0.02 0.03 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.02 0.01 -0.02 -0.04 0.01 0.02 0.02 0.04 -0.02 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 0.00 0.02 -0.01 -0.01 0.01 -0.02 0.00 0.02 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.03 0.00 -0.00 -0.03 0.00 -0.01 0.01 0.04 0.00 -0.00 -0.01 -0.00 0.09 0.05 0.10 -0.08 -0.02 -0.00 0.05 0.13 -0.06 0.01 -0.02 0.02 0.13 0.23 -0.27 -0.30 0.09 -0.21 0.00 -0.01 0.19 -0.02 0.01 -0.03 0.38 -0.01 0.21 -0.08 -0.22 0.38 -0.11 0.14 -0.08 0.11 0.03 -0.11 -0.00 -0.00 0.01 -0.02 0.00 0.00 -0.03 -0.03 -0.04 0.09 0.08 0.06 -0.00 -0.00 0.01 0.00 0.00 -0.02 -0.02 0.11 -0.04 0.01 -0.11 -0.04 0.11 -0.02 -0.04 0.03 -0.07 -0.09 0.00 0.13 0.16 0.08 -0.13 0.16 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.02 0.00 0.01 -0.01 0.01 -0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.02 0.00 0.03 0.17 0.20 -0.29 0.09 -0.26 -0.26 0.02 0.02 0.17 0.01 -0.00 -0.03 -0.15 0.31 0.18 -0.08 -0.17 0.39 0.10 -0.17 -0.06 -0.01 0.00 0.00 -0.01 0.04 0.01 0.03 -0.07 -0.03 0.08 0.03 -0.04 -0.02 -0.02 0.00 -0.02 0.19 0.18 0.03 -0.10 -0.15 0.25 0.19 -0.12 -0.04 -0.05 0.10 0.00 0.00 -0.00 0.00 0.01 -0.01 0.07 0.04 0.05 -0.06 -0.07 -0.04 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.05 -0.01 0.01 -0.00 -0.02 -0.02 -0.02 0.05 0.01 -0.04 -0.03 -0.01 0.04 0.05 0.04 -0.04 0.05 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.02 -0.02 0.01 0.02 -0.01 -0.01 0.01 -0.01 0.00 0.02 -0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.01 0.01 0.01 -0.01 -0.08 -0.08 0.12 0.03 -0.01 0.00 -0.11 0.01 -0.00 0.00 0.01 0.00 0.01 -0.01 -0.00 -0.02 -0.02 0.02 0.01 -0.03 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.02 -0.02 0.00 0.00 -0.39 0.23 -0.04 0.06 0.00 0.03 -0.01 0.03 0.01 -0.09 -0.18 -0.22 -0.14 -0.24 -0.10 -0.01 0.04 -0.03 -0.04 0.02 0.03 -0.05 -0.13 -0.02 -0.03 -0.30 -0.03 0.16 -0.14 0.28 0.05 -0.29 -0.24 -0.03 -0.05 -0.05 0.40 -0.00 -0.08 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 0.00 0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.02 -0.04 0.06 -0.02 0.05 0.06 -0.01 0.00 -0.04 -0.00 0.00 0.01 0.00 -0.05 -0.04 0.01 0.03 -0.06 -0.01 0.01 0.01 -0.00 0.01 -0.01 -0.02 -0.07 0.05 0.06 -0.01 0.04 -0.02 -0.00 -0.03 0.01 -0.00 0.01 -0.12 -0.01 -0.08 0.02 0.09 -0.10 0.01 -0.07 0.04 0.01 -0.21 0.29 0.01 0.01 -0.01 -0.03 0.02 -0.04 0.20 0.17 0.21 -0.13 -0.09 -0.10 -0.01 -0.03 0.02 -0.01 0.01 -0.02 0.09 0.21 0.03 -0.02 -0.07 0.05 0.15 0.00 -0.15 0.07 -0.20 -0.24 -0.04 0.27 0.35 0.21 -0.27 0.33 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.02 -0.00 0.00 0.01 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.02 -0.01 -0.00 -0.00 -0.02 0.01 0.00 -0.00 -0.01 -0.02 0.08 0.06 -0.02 -0.04 0.10 0.04 -0.04 -0.02 -0.00 0.01 -0.02 -0.06 -0.17 0.13 0.15 -0.02 0.13 -0.05 -0.01 -0.08 0.00 -0.01 0.01 -0.12 0.06 -0.01 0.02 0.06 -0.11 0.07 0.01 -0.01 0.15 0.17 -0.33 0.00 -0.01 0.02 -0.04 -0.01 0.03 -0.18 -0.16 -0.19 0.22 0.17 0.16 -0.02 0.00 0.00 0.01 -0.01 -0.02 0.11 0.39 -0.00 -0.04 -0.31 0.02 0.40 -0.03 -0.20 0.01 0.03 -0.01 0.02 0.04 0.04 -0.01 -0.03 0.02 0.00 0.00 -0.00 -0.01 0.01 0.00 0.01 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.02 -0.02 -0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.03 -0.00 -0.01 0.01 -0.03 0.01 0.02 -0.00 -0.00 -0.06 0.05 0.01 0.04 -0.01 -0.07 0.03 -0.04 0.06 -0.00 0.00 -0.01 -0.05 -0.18 0.30 0.02 0.22 0.28 -0.04 -0.01 -0.13 0.00 -0.00 -0.00 -0.17 0.24 0.13 -0.16 -0.11 0.24 0.09 -0.08 -0.05 -0.00 0.00 0.01 0.13 0.13 -0.30 -0.24 -0.01 -0.25 0.01 0.02 0.14 0.00 -0.00 0.00 -0.30 0.10 -0.09 0.03 0.22 -0.22 0.10 -0.10 0.04 -0.01 0.03 -0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.02 -0.02 0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.04 -0.01 0.01 -0.00 -0.02 -0.02 -0.01 0.04 -0.00 0.00 0.01 0.00 -0.02 -0.02 -0.00 0.01 -0.02 0.10 -0.12 0.02 -0.08 0.10 -0.01 -0.04 -0.07 0.07 0.11 -0.05 -0.04 -0.14 0.06 0.05 0.01 0.03 -0.04 0.13 0.22 -0.24 -0.06 0.21 -0.10 0.09 0.06 -0.10 0.02 0.12 -0.09 0.19 0.01 -0.13 0.00 -0.03 0.17 0.04 -0.02 -0.12 -0.04 0.05 -0.11 -0.01 0.00 0.01 0.02 -0.13 0.22 0.05 0.13 0.19 -0.03 -0.01 -0.09 0.01 -0.00 0.01 -0.18 0.19 0.08 -0.19 -0.08 0.14 0.07 -0.03 -0.02 0.01 -0.01 0.00 -0.10 -0.04 0.24 0.14 0.05 0.18 -0.01 -0.02 -0.09 -0.00 0.00 0.01 0.24 -0.14 0.03 -0.01 -0.23 0.12 -0.05 0.07 -0.01 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.10 0.12 -0.01 0.08 -0.09 0.01 0.04 0.07 -0.07 -0.11 0.05 0.04 0.13 -0.07 -0.05 -0.01 -0.02 0.01 -0.13 -0.21 0.23 0.05 -0.19 0.10 -0.11 -0.06 0.11 -0.01 -0.13 0.09 -0.17 -0.02 0.13 -0.00 -0.03 0.17 0.04 -0.02 -0.12 -0.05 0.05 -0.11 -0.01 0.00 0.00 0.03 -0.13 0.24 0.03 0.15 0.20 -0.03 0.01 -0.10 0.01 -0.00 0.01 -0.18 0.18 0.08 -0.19 -0.08 0.14 0.07 -0.03 -0.02 0.00 -0.01 0.00 -0.11 -0.03 0.25 0.16 0.03 0.18 0.01 -0.01 -0.11 -0.00 0.00 0.01 0.23 -0.13 0.03 -0.01 -0.22 0.11 -0.04 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.23 -0.25 0.01 -0.25 0.15 0.07 0.08 -0.07 -0.01 -0.22 0.21 0.00 0.29 -0.15 -0.09 -0.14 0.11 0.02 0.10 -0.08 -0.02 -0.07 0.36 -0.20 0.24 0.04 -0.18 0.05 -0.27 0.13 -0.32 -0.06 0.26 0.03 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.02 0.02 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.03 -0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 0.01 -0.01 -0.05 -0.01 0.00 0.03 0.02 0.08 -0.04 -0.13 -0.15 -0.00 -0.06 0.21 0.69 0.30 0.11 0.00 0.04 -0.00 0.10 -0.06 -0.10 -0.45 -0.29 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.04 -0.14 -0.09 0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.05 -0.03 -0.03 0.01 0.05 -0.01 -0.04 -0.01 -0.00 -0.04 -0.04 0.05 -0.02 -0.08 -0.09 -0.00 -0.04 0.15 0.48 0.20 -0.14 -0.01 -0.06 0.00 -0.13 0.08 0.13 0.64 0.43 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.02 -0.01 0.01 0.00 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.03 -0.00 -0.01 0.00 0.00 0.01 0.30 0.71 0.49 -0.04 -0.04 -0.03 -0.00 -0.00 -0.00 0.01 -0.22 0.14 0.14 -0.04 -0.19 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.03 0.12 0.04 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.10 0.08 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.10 -0.05 0.04 0.10 -0.08 -0.05 0.01 0.01 0.02 -0.01 -0.02 -0.13 -0.24 0.24 -0.05 0.44 0.16 -0.09 -0.02 -0.15 -0.00 -0.00 0.01 -0.08 -0.00 -0.03 0.08 0.07 -0.07 0.02 -0.05 0.00 -0.03 0.02 -0.02 -0.17 -0.24 0.26 0.58 0.06 0.12 -0.02 -0.09 -0.19 0.01 0.02 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.02 0.20 0.11 -0.09 -0.21 0.16 0.10 -0.02 -0.03 -0.02 0.02 0.02 0.14 0.26 -0.26 0.05 -0.47 -0.17 0.10 0.02 0.16 -0.00 -0.00 0.01 -0.09 -0.00 -0.04 0.10 0.09 -0.09 0.02 -0.06 0.00 -0.03 0.02 -0.01 -0.14 -0.20 0.21 0.47 0.05 0.10 -0.02 -0.07 -0.15 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.05 0.03 -0.47 -0.26 0.19 0.47 -0.37 -0.24 0.04 0.06 -0.01 0.01 0.01 0.09 0.14 -0.14 0.03 -0.26 -0.09 0.06 0.01 0.09 -0.00 -0.00 0.02 -0.16 -0.01 -0.07 0.16 0.15 -0.16 0.03 -0.09 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.15 0.08 -0.06 -0.15 0.12 0.07 -0.01 -0.02 0.01 -0.00 -0.01 -0.04 -0.06 0.06 -0.02 0.12 0.04 -0.03 -0.01 -0.04 -0.01 -0.01 0.05 -0.42 -0.03 -0.19 0.44 0.39 -0.42 0.09 -0.25 0.01 0.01 -0.01 0.01 0.06 0.10 -0.10 -0.21 -0.02 -0.04 0.01 0.03 0.07 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.05 0.00 -0.03 0.32 0.19 0.10 0.23 -0.19 0.01 -0.01 -0.00 -0.02 -0.08 0.02 0.25 0.42 -0.46 -0.06 0.49 0.20 0.02 -0.01 0.03 0.00 0.00 -0.00 -0.02 -0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.03 0.04 -0.04 -0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.00 0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.01 -0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.02 -0.03 0.03 0.00 -0.04 -0.02 0.00 0.00 0.00 0.02 0.01 0.00 -0.22 -0.01 -0.10 -0.09 -0.08 0.09 0.01 -0.03 0.00 0.07 0.05 -0.03 -0.32 -0.48 0.53 -0.52 -0.04 -0.13 0.01 -0.02 -0.07 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.08 0.00 -0.06 0.56 0.34 0.18 0.41 -0.34 0.02 -0.02 -0.01 0.01 0.04 -0.01 -0.14 -0.24 0.26 0.03 -0.28 -0.12 -0.01 0.01 -0.02 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.08 -0.03 -0.00 0.71 0.02 0.33 0.31 0.29 -0.31 -0.05 0.09 -0.00 0.02 0.01 -0.01 -0.10 -0.14 0.16 -0.15 -0.02 -0.04 0.00 -0.01 -0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.01 -0.04 -0.02 0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.00 -0.01 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 0.01 0.01 0.03 -0.05 -0.05 0.00 0.17 -0.05 -0.22 -0.27 0.02 -0.08 -0.03 -0.10 -0.04 0.58 -0.04 0.22 -0.05 0.49 -0.38 0.04 0.18 0.12 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.04 0.00 0.02 0.01 0.01 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 0.02 0.01 -0.00 -0.02 -0.02 -0.02 -0.06 -0.02 -0.02 0.00 -0.37 0.12 0.48 0.60 -0.04 0.19 0.06 0.18 0.07 0.27 -0.02 0.10 -0.02 0.23 -0.17 0.01 0.07 0.05 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.11 0.26 0.18 0.03 -0.08 -0.02 -0.00 -0.00 -0.00 -0.04 0.59 -0.42 -0.36 0.06 0.46 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.01 0.03 0.03 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.03 -0.00 0.00 -0.00 -0.01 0.21 -0.15 0.19 -0.04 -0.25 0.04 -0.01 -0.01 -0.05 0.04 -0.04 -0.18 0.06 0.25 -0.30 0.02 -0.10 0.01 -0.00 -0.00 0.52 -0.02 0.20 0.04 -0.45 0.33 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.02 0.00 0.02 0.02 -0.05 -0.00 0.00 -0.00 0.03 -0.31 0.21 -0.29 0.06 0.37 -0.05 0.01 0.02 -0.04 0.03 -0.03 0.22 -0.07 -0.29 0.34 -0.02 0.12 -0.01 -0.00 0.00 0.40 -0.02 0.15 0.03 -0.34 0.25 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.02 -0.02 0.05 -0.00 -0.00 0.00 -0.03 0.36 -0.24 0.32 -0.07 -0.41 -0.07 0.01 0.02 -0.00 0.00 -0.00 0.30 -0.10 -0.41 0.49 -0.03 0.16 -0.01 0.01 0.01 0.04 0.00 0.01 0.01 -0.04 0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.04 -0.01 -0.08 -0.07 -0.13 0.12 -0.02 0.17 0.05 0.51 0.09 0.80 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.02 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 0.02 0.00 0.00 0.01 0.05 0.11 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.02 0.04 -0.08 0.02 -0.22 -0.02 -0.09 0.12 0.09 -0.10 -0.34 0.88 -0.04 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.02 0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 0.01 0.02 -0.02 0.00 -0.02 -0.01 -0.06 -0.01 -0.10 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.04 0.00 -0.01 -0.03 -0.09 -0.09 -0.13 0.13 0.17 0.02 0.03 0.08 0.39 0.86 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.08 0.01 0.03 0.01 -0.17 -0.09 0.05 0.14 -0.10 0.92 -0.15 -0.22 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.02 0.02 -0.01 -0.00 -0.05 -0.02 0.05 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.21 0.17 0.03 0.06 0.02 -0.05 0.01 -0.38 0.24 0.58 0.23 -0.53 0.01 -0.18 0.10 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 0.00 -0.06 0.04 -0.00 0.01 -0.00 -0.03 -0.01 0.03 0.00 0.01 -0.01 0.00 0.00 -0.00 0.07 -0.06 -0.01 -0.15 -0.04 0.13 -0.02 0.70 -0.45 0.34 0.13 -0.30 0.01 -0.13 0.07 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 0.00 0.01 -0.01 -0.06 0.05 0.01 -0.00 -0.01 0.01 -0.00 0.03 -0.02 -0.00 -0.00 0.00 0.67 -0.53 -0.11 0.15 0.04 -0.12 -0.00 -0.13 0.09 0.05 0.03 -0.05 0.04 -0.37 0.21 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.03 -0.01 0.02 0.00 -0.01 0.00 -0.02 0.02 0.00 -0.02 -0.01 0.02 0.01 -0.06 0.03 0.00 0.00 -0.00 0.21 -0.17 -0.03 0.35 0.09 -0.29 -0.00 0.06 -0.03 0.19 0.07 -0.17 -0.07 0.69 -0.38 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.06 -0.01 0.05 0.00 -0.02 0.01 0.02 -0.02 -0.00 0.01 0.00 -0.01 -0.00 0.03 -0.02 -0.00 0.00 -0.00 -0.24 0.19 0.04 0.63 0.16 -0.52 -0.01 0.21 -0.13 -0.10 -0.04 0.09 0.03 -0.31 0.17 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 6 6 6 6 6 7 1 1 1 1 1 5 7 7 6 1 1 1 6 1 1 1 6 1 1 1 6 1 1 1 1 6 7 1 1 6 6 1 1 1 1 1 1 298.150 1.00000 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 6 6 6 6 6 7 1 1 1 1 1 5 7 7 6 1 1 1 6 1 1 1 6 1 1 1 6 1 1 1 1 6 7 1 1 6 6 1 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 1.00783 1.00783 1.00783 1.00783 1.00783 11.00931 14.00307 14.00307 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 1.00783 12.00000 14.00307 1.00783 1.00783 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 237.22505 3353.88405 5903.34703 6386.13368 0.99999 -4.4E-4 -0.00319 3.1E-4 0.99913 -0.04173 0.00321 0.04173 0.99912 asymmetric 1 0.02582 0.01467 0.01356 0.53810 0.30571 0.28260 1006753.1 33.56 42.81 76.18 81.90 94.30 103.90 114.18 134.42 140.86 201.11 229.77 256.92 315.23 316.29 343.80 354.97 358.36 367.19 381.26 402.14 432.66 435.82 472.25 497.00 504.61 533.26 534.34 624.13 630.21 656.74 700.26 789.78 911.88 932.84 941.82 948.43 988.20 1115.38 1130.15 1261.01 1343.12 1365.58 1384.65 1394.72 1453.94 1479.13 1544.37 1550.85 1561.85 1565.73 1570.15 1572.16 1575.34 1582.76 1617.49 1619.10 1620.46 1627.27 1671.69 1693.07 1694.04 1741.56 1755.02 1815.10 1836.31 1877.51 1881.86 1932.55 1937.84 1960.39 1981.14 2044.53 2058.59 2066.71 2067.73 2075.04 2082.80 2098.37 2100.94 2107.07 2108.63 2112.01 2115.68 2118.39 2119.24 2123.40 2125.80 2132.08 2142.20 2143.55 2148.63 2157.25 2157.37 2195.53 2254.67 2259.68 2459.09 4207.56 4221.33 4272.50 4306.98 4308.01 4316.32 4322.64 4394.25 4399.90 4407.75 4420.05 4438.57 4439.79 4446.44 4519.04 4521.91 4522.59 4558.81 4561.62 4565.34 4567.84 4622.65 4626.02 4668.39 4675.97 4685.22 0.383452 0.404973 0.405918 0.331661 -715.709210 -715.687689 -715.686745 -715.761001 254.125 77.757 156.286 0.000 0.000 1.377 0.889 2.981 42.293 0.889 2.981 33.202 252.347 71.795 79.413 1 0.593 1.985 6.329 2 0.594 1.984 5.846 3 0.596 1.976 4.704 4 0.596 1.975 4.561 5 0.597 1.971 4.283 6 0.598 1.967 4.092 7 0.600 1.963 3.907 8 0.602 1.954 3.587 9 0.603 1.951 3.496 10 0.615 1.914 2.807 11 0.622 1.892 2.553 12 0.629 1.869 2.343 13 0.647 1.812 1.967 14 0.647 1.811 1.960 15 0.657 1.781 1.811 16 0.661 1.768 1.754 17 0.662 1.764 1.737 18 0.666 1.754 1.694 19 0.671 1.737 1.629 20 0.680 1.711 1.537 21 0.693 1.672 1.413 22 0.694 1.668 1.401 23 0.711 1.619 1.269 24 0.724 1.585 1.187 25 0.728 1.574 1.163 26 0.743 1.533 1.077 27 0.743 1.531 1.074 28 0.795 1.397 0.846 29 0.798 1.387 0.833 30 0.815 1.347 0.776 31 0.843 1.280 0.692 32 0.904 1.142 0.546 0.663949e+24 23.822135 54.852492 0.574278e+09 8.759122 20.168624 0.200000e+01 0.301030 0.693147 0.143613e+09 8.157195 18.782635 0.402520e+07 6.604788 15.208086 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -1.5058 1.8896 0.5148 2.4704 -110.2037 -106.6573 -103.2113 -2.0927 -2.8137 -3.9520 -3.5129 0.0335 3.4795 -2.0927 -2.8137 -3.9520 -29.2626 15.0337 1.9207 5.8971 8.6120 -7.4139 -4.8899 7.3164 11.1598 1.9107 -3562.5109 -1614.1315 -1281.0822 -11.8630 -61.9382 -29.9101 -36.7102 6.2791 1.0953 -889.2708 -811.9598 -476.9846 -29.0749 -12.8373 12.9706 (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)|(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)|(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)|(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)|(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)|Beta|Orbitals: (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)|(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)|(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)|(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)|(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)|(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)|(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 2-A -716.0926624 0.779841 0. 0.75056 1.222E-9 2.528E-6 0.383452 0.4049734 -715.687689 -715.6867448 -715.7610013 -2.6117915,0.0248804,2.586911,1.5558789,-2.091953,2.9382372 C01[X(C12H26B1N4)] 0.5924425 0.7434102 -0.2025301 -0.0739821 0.1194154 0.0175557 0.2152549 0.2545176 0.1180869 0.16848 0.2562066 -0.0774933 0.2266516 -0.0135615 -0.2196478 0.024155 0.0101557 0.0639922 -0.2101242 0.089827 0.0860299 -0.2731461 0.0636409 0.0424266 0.0511178 -0.2816259 -0.0847598 0.0645498 -0.0684449 -0.311478 0.004792 0.0657946 -0.010641 0.0612117 0.2346899 0.1920893 -0.0489866 0.1640428 0.0278871 0.2565626 0.0698415 -0.1923774 -0.0286568 -0.1022924 0.0290258 -0.3763248 -0.0967083 0.0347108 -1.2057116 -0.673739 0.2140928 -0.7331756 -0.7904885 -0.0496806 0.1849645 -0.0126009 -0.3994976 -0.0153598 -0.0921456 0.0471129 -0.0944704 0.021052 -0.0227108 0.0516472 -0.0237732 0.1000713 0.0272513 0.0025152 0.0871378 0.0043507 0.0875062 -0.0385874 0.0920712 -0.0518773 0.061568 0.0880488 0.0045731 0.0200483 -0.013104 -0.030976 -0.0889955 0.0082202 -0.0969546 0.040996 0.0005582 0.0231798 0.08728 0.0368628 0.069371 -0.0521863 0.1008369 -0.0445115 0.0234384 0.1128925 -0.0274854 0.0146475 -0.0235612 -0.0124865 -0.0720157 0.034894 -0.0513978 0.0687155 1.5574168 0.8269498 -0.1448598 0.8823858 1.0327823 0.1395215 -0.129312 0.1315368 1.8251435 -0.9414059 -0.1850904 0.2040738 -0.1129134 -0.5948439 0.1536015 0.2676589 0.2002323 -1.3450783 -0.7980803 -0.2856163 -0.247534 -0.3208771 -0.8548124 -0.1941078 -0.2706773 -0.2920963 -1.1710101 0.1410239 -0.0724095 0.2798902 -0.0618138 0.2764229 0.1065958 0.1256621 -0.0741918 0.6498114 0.0428043 -0.0456652 0.0039613 -0.0099094 -0.1311763 0.1636268 -0.0323202 0.0795844 -0.1128157 0.0256734 0.0666646 0.0346913 0.0480582 -0.0666254 -0.150431 -0.0253998 -0.052392 -0.1130872 -0.0836478 -0.0157834 -0.0127135 -0.0105301 0.0789357 -0.0407496 0.0212517 -0.0201767 0.0558913 0.5786583 0.1284727 -0.2876862 0.1429033 0.3510154 -0.1169563 -0.1317988 -0.023571 0.130341 -0.0651192 -0.0230507 0.0782965 0.0688944 -0.0412072 -0.118623 0.145099 -0.0831726 -0.0510322 -0.0523963 0.0032246 0.0173041 -0.0946479 -0.1854149 0.1239181 0.0602239 0.0912577 0.0146672 -0.018368 -0.0180684 -0.0495151 -0.0319446 0.086216 0.0121868 -0.1093891 0.0205816 -0.0323272 0.2221172 -0.1385952 -0.1145299 -0.1107675 0.1085158 -0.1337439 0.0601447 0.0078448 0.6207113 -0.1498909 -0.0028286 -0.1421507 -0.0353082 0.0650398 0.0255853 -0.0741324 0.0315103 -0.0652493 -0.0262813 0.1000951 0.1308781 0.0992876 -0.0229747 -0.0921561 0.0433453 -0.0164067 -0.1163677 0.0936673 -0.0354635 0.0291715 -0.0499103 -0.0749049 0.0226551 0.0195096 -0.0024975 0.041504 0.4552229 0.2165682 0.1095725 0.1791025 0.5775749 0.1698154 -0.0471402 0.0315775 0.0894527 -0.0146889 0.0620717 0.0794621 -0.0364102 -0.1123574 -0.0974218 0.0341372 -0.1613446 -0.0589853 -0.2134089 -0.0827215 -0.0631585 0.0107194 -0.0102624 0.0054848 -0.0573925 -0.0188844 0.0412579 0.0469652 -0.009833 -0.0275737 -0.0191649 0.0289619 0.0504337 0.006047 0.1151561 -0.0471287 -0.0309015 -0.0499503 -0.0192183 0.1235067 -0.1004148 0.0829811 -0.1259274 0.0623053 -0.0395713 0.5383784 -0.0131089 0.1405439 -0.0502557 0.301441 -0.0620272 0.2327693 -0.0965738 0.1620566 -0.7263223 0.0620716 -0.007984 0.1244452 -0.6755018 0.0345903 -0.0237726 0.0275407 -0.603959 0.0178212 0.0090313 -0.0161446 -0.0097726 -0.0828044 -0.0805507 -0.0558108 -0.1067383 -0.0089616 -0.0443045 -0.0260427 0.0535852 -0.0115325 0.0768728 0.006431 0.1139601 0.0199731 -0.0568518 0.1416536 -0.0388535 0.0871076 -0.1385538 0.5294468 0.0790134 0.0942123 0.094617 0.3494345 0.3587618 -0.0621863 -0.1739799 -0.0976325 0.3243691 -0.1347309 -0.1908706 -0.1145052 0.4161979 0.0128104 -0.0148661 0.1284412 -0.0490352 0.0263566 0.0081883 0.0837487 -0.0117122 -0.0769868 -0.1488944 -0.0133344 -0.1056109 0.0181273 0.0266619 -0.0246815 -0.0521969 -0.0155923 0.0387214 0.03632 0.0666009 -0.0127274 0.0726738 -0.2348746 -0.0207602 -0.0742923 0.125915 -0.0653838 -0.1585915 0.0115463 -0.018488 -0.0285184 0.0663671 0.0173 -0.0913384 0.0102327 0.0170068 0.0659858 -0.0377267 -0.0151147 0.0158148 -0.0774153 -0.096677 0.0500605 -0.0861634 -0.0407389 -0.0115361 0.0758686 -0.0256258 -0.0064057 -0.1508125 0.1674301 0.0637128 0.0623457 -0.1016108 194.1086881|25.8290764|167.1200692|-13.8425348|11.1865678|161.5337468 0.000000981 0.000003542 0.000005653 -0.000001291 -0.000000514 -0.000000105 -0.000001319 0.000002662 0.000000915 0.000000871 0.000001587 -0.000000463 -0.000000190 0.000004004 0.000000759 -0.000000161 -0.000007238 -0.000001981 -0.000001125 0.000001370 0.000001714 -0.000000848 -0.000000859 -0.000000548 -0.000000853 0.000000031 0.000001439 -0.000000280 0.000002695 0.000000274 0.000001400 0.000000641 0.000000069 -0.000002234 0.000003690 -0.000007685 0.000003422 0.000003777 0.000009554 0.000000255 -0.000001281 0.000004130 -0.000003449 -0.000002794 -0.000004894 0.000001883 -0.000001704 -0.000000220 -0.000000410 -0.000001564 0.000000665 0.000001434 0.000000779 -0.000001187 0.000001042 -0.000005166 -0.000003748 0.000000166 -0.000001364 -0.000000547 0.000000326 -0.000001562 -0.000001074 -0.000001297 0.000001826 0.000000201 -0.000000008 -0.000000219 -0.000006478 -0.000000489 0.000001396 0.000002792 0.000001612 0.000002573 0.000000277 -0.000000235 0.000001139 -0.000000111 0.000002983 0.000001051 -0.000002435 0.000001446 -0.000000788 -0.000001146 0.000000645 0.000000346 -0.000002156 -0.000000265 -0.000000029 -0.000001157 0.000001883 0.000000704 -0.000000063 0.000002387 -0.000000601 0.000002206 -0.000001828 0.000006061 -0.000001757 -0.000001182 -0.000001668 0.000001132 -0.000000565 0.000001486 0.000001873 -0.000000055 -0.000006505 0.000001856 -0.000007643 -0.000006824 -0.000001413 -0.000000428 0.000001289 0.000001769 -0.000000490 0.000000796 0.000000404 0.000001343 -0.000000895 -0.000001875 -0.000000415 0.000000152 -0.000000654 0.000001001 -0.000002920 0.000002098 0.000001978 0.000000896 0.000001914 210.96619999999996 AuxInfo=1/0/N:15,19,23,27,3,2,4,1,5,12,13,14,6;32,36,37,33/E:(1,2,3,4)(6,7)(8,9)(11,12);(1,2,3)/CRV:5.3,6.3,7.3,8.3,9.3;/rA:43nC3C3C3C3C3NHHHHHBNNCHHHCHHHCHHHCHHHHCNHHCCHHHHHH/rB:s1;s2;s3;s4;s1s5;s3;s1;s2;s4;s5;s6;s12;s12;s13;s15;s15;s15;s13;s19;s19;s19;s14;s23;s23;s23;s14;s27;s27;s27;;s31;s32;s32;s32;s33;s33;s36;s36;s36;s37;s37;s37;/rC:-1.7044,-1.1142,-.7855;-2.7621,-1.9621,-.6254;-3.8076,-1.6678,.2854;-3.6993,-.4505,1.0047;-2.6296,.379,.8314;-1.5869,.0781,-.0565;-4.6557,-2.3382,.4191;-.8844,-1.3284,-1.4696;-2.7802,-2.8798,-1.2169;-4.4789,-.1464,1.7063;-2.5385,1.3306,1.354;-.4241,.9719,-.2089;.1172,1.1797,-1.5182;.1168,1.6002,.9571;-.678,1.1148,-2.7237;-.603,2.0592,-3.2939;-.3472,.3001,-3.3955;-1.7362,.9496,-2.4855;1.5048,1.49,-1.7666;1.9297,.791,-2.5111;1.6493,2.5142,-2.1612;2.0968,1.3871,-.8485;.0252,1.0324,2.2831;1.0217,.995,2.7582;-.6314,1.625,2.9483;-.3675,.0083,2.2432;.7842,2.8804,.9304;.3338,3.5678,1.6698;1.8617,2.8007,1.1743;.6886,3.3483,-.0573;1.2627,-1.0828,-.5288;1.6374,-1.9451,.0654;2.9958,-1.7652,.5194;1.5599,-2.8453,-.5638;.9581,-2.0767,.9214;3.1168,-.6991,1.4821;3.9246,-1.6324,-.5758;2.4773,-.9038,2.3543;4.1559,-.6232,1.8374;2.8194,.297,1.0781;4.957,-1.5802,-.1969;3.8552,-2.5076,-1.2401;3.7443,-.7239,-1.1965; Gaussian 16 1-Jul-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 123 C1[X(C12H26BN4)] UwB97XD def2TZVPP SP #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput 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 0 210.96619999999996 AuxInfo=1/0/N:15,19,23,27,3,2,4,1,5,12,13,14,6;32,36,37,33/E:(1,2,3,4)(6,7)(8,9)(11,12);(1,2,3)/CRV:5.3,6.3,7.3,8.3,9.3;/rA:43nC3C3C3C3C3NHHHHHBNNCHHHCHHHCHHHCHHHHCNHHCCHHHHHH/rB:s1;s2;s3;s4;s1s5;s3;s1;s2;s4;s5;s6;s12;s12;s13;s15;s15;s15;s13;s19;s19;s19;s14;s23;s23;s23;s14;s27;s27;s27;;s31;s32;s32;s32;s33;s33;s36;s36;s36;s37;s37;s37;/rC:-1.7044,-1.1142,-.7855;-2.7621,-1.9621,-.6254;-3.8076,-1.6678,.2854;-3.6993,-.4505,1.0047;-2.6296,.379,.8314;-1.5869,.0781,-.0565;-4.6557,-2.3382,.4191;-.8844,-1.3284,-1.4696;-2.7802,-2.8798,-1.2169;-4.4789,-.1464,1.7063;-2.5385,1.3306,1.354;-.4241,.9719,-.2089;.1172,1.1797,-1.5182;.1168,1.6002,.9571;-.678,1.1148,-2.7237;-.603,2.0592,-3.2939;-.3472,.3001,-3.3955;-1.7362,.9496,-2.4855;1.5048,1.49,-1.7666;1.9297,.791,-2.5111;1.6493,2.5142,-2.1612;2.0968,1.3871,-.8485;.0252,1.0324,2.2831;1.0217,.995,2.7582;-.6314,1.625,2.9483;-.3675,.0083,2.2432;.7842,2.8804,.9304;.3338,3.5678,1.6698;1.8617,2.8007,1.1743;.6886,3.3483,-.0573;1.2627,-1.0828,-.5288;1.6374,-1.9451,.0654;2.9958,-1.7652,.5194;1.5599,-2.8453,-.5638;.9581,-2.0767,.9214;3.1168,-.6991,1.4821;3.9246,-1.6324,-.5758;2.4773,-.9038,2.3543;4.1559,-.6232,1.8374;2.8194,.297,1.0781;4.957,-1.5802,-.1969;3.8552,-2.5076,-1.2401;3.7443,-.7239,-1.1965; chk=80_a_TMA.chk Mem=24000MB NProc=12 #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput 1/29=7,38=1,172=1/1 2/12=2,40=1/2 3/5=44,7=202,11=2,14=-4,24=110,25=1,30=1,74=-58,116=-2/1,2,3 4/5=1/1 5/5=2,8=3,13=1,38=6/2,8 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 coments Redundant internal coordinates found in file. (old form). 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 12 12 12 12 12 14 1 1 1 1 1 11 14 14 12 1 1 1 12 1 1 1 12 1 1 1 12 1 1 1 1 12 14 1 1 12 12 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 11.0093053 14.0030740 14.0030740 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 14.0030740 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 2 1 1 1 1 1 3 2 2 0 1 1 1 0 1 1 1 0 1 1 1 0 1 1 1 1 0 2 1 1 0 0 1 1 1 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 4.5500000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 2.7500000 4.5500000 4.5500000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 4.5500000 1.0000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "80_a_TMA.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 1002 A 891 A 891 1309 1002 66 65 1298.5662542628 43 43 43 1.00e+00 60 F 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 Grimme-D2 -0.0388354802 0.000000 1.365007 0.000000 2.424158 1.417474 0.000000 2.761316 2.412604 1.418092 0.000000 2.387443 2.760514 2.423811 1.364615 0.000000 1.402396 2.422179 2.845377 2.422312 1.402191 0.000000 3.414559 2.195039 1.089309 2.195679 3.414338 3.934680 0.000000 1.089210 2.154090 3.426424 3.849257 3.354944 2.113902 4.337029 0.000000 2.112074 1.091993 2.186687 3.417929 3.852021 3.394050 2.547083 2.462699 0.000000 3.852696 3.417738 2.187273 1.091990 2.112159 3.394299 2.547908 4.940039 4.347690 0.000000 3.354084 3.848345 3.426770 2.154460 1.089485 2.112735 4.337787 4.216489 4.939188 2.463930 0.000000 2.514634 3.774650 4.319746 3.771335 2.509634 1.474565 5.409006 2.663160 4.626325 4.621697 2.653655 0.000000 3.019453 4.354101 5.173478 4.856748 3.702258 2.500824 6.237704 2.701136 4.996534 5.768852 3.914644 1.431888 0.000000 3.704254 4.845891 5.150924 4.332480 3.008378 2.499419 6.211063 3.932916 5.761054 4.973213 2.698297 1.430719 2.510712 0.000000 3.127052 4.267680 5.156682 5.047696 4.121768 3.002468 6.133671 2.754005 4.758805 5.971757 4.487235 2.531601 1.445637 3.796785 0.000000 4.192275 5.287004 6.080326 5.862005 4.893679 3.920880 7.038951 3.857815 5.783355 6.699877 5.087167 3.275825 2.108352 4.335818 1.105694 0.000000 3.264132 4.315389 5.421812 5.582318 4.804460 3.568666 6.330494 2.578714 4.558236 6.580191 5.331187 3.257557 2.124584 4.566269 1.106604 1.780500 0.000000 2.674036 3.604211 4.338122 4.242138 3.482207 2.584950 5.269707 2.635768 4.167005 5.127828 3.940862 2.627734 2.103267 3.963384 1.097163 1.780060 1.783127 0.000000 4.247733 5.605829 6.511783 6.207088 5.007730 3.804813 7.575191 3.706675 6.144767 7.109368 5.109912 2.532843 1.443419 3.058896 2.412807 2.664495 2.738456 3.363486 0.000000 4.451303 5.757432 6.839737 6.751837 5.668261 4.347380 7.857791 3.673611 6.110041 7.728816 5.932444 3.297388 2.102869 3.996144 2.636310 2.938607 2.491444 3.669406 1.106025 0.000000 5.128875 6.469647 7.297432 6.886213 5.641300 4.564838 8.364010 4.654402 7.043268 7.719532 5.594175 3.238682 2.131140 3.592680 2.773343 2.561862 3.226767 3.743658 1.107100 1.780546 0.000000 4.550774 5.905557 6.743850 6.356536 5.116391 3.988810 7.815393 4.080053 6.490535 7.219295 5.132214 2.633686 2.100099 2.688066 3.360109 3.704144 3.693513 4.190855 1.097246 1.774097 1.787131 0.000000 4.125012 5.019531 5.096279 4.207733 3.095589 2.997263 6.061842 4.525848 5.951959 4.691422 2.743116 2.532959 3.805273 1.445437 5.056652 5.705428 5.737774 5.084231 4.335740 5.164253 4.958367 3.771499 0.000000 4.943528 5.874603 6.043792 5.239464 4.174274 3.945708 6.986729 5.187069 6.728335 5.715447 3.841801 3.300763 4.374947 2.104608 5.740672 6.356130 6.342373 5.924968 4.577377 5.350859 5.186777 3.783913 1.104602 0.000000 4.753490 5.493516 5.293545 4.182942 3.166512 3.512101 6.188572 5.320164 6.500752 4.414058 2.503081 3.230724 4.550604 2.127304 5.695093 6.257311 6.486933 5.585962 5.177984 6.087626 5.665599 4.681356 1.106707 1.779271 0.000000 3.495776 4.224429 4.298413 3.583981 2.692171 2.603968 5.217439 3.979811 5.112228 4.149182 2.692978 2.635307 3.969317 2.103108 5.098163 5.909406 5.646350 5.012036 4.666859 5.337912 5.454004 4.187203 1.097517 1.780107 1.783375 0.000000 5.009458 6.200575 6.495155 5.585914 4.233394 3.801268 7.555659 5.124291 7.106095 6.120815 3.690762 2.529953 3.054981 1.443978 4.313729 4.521446 5.162560 4.663593 3.118700 4.185850 3.231152 2.667836 2.412745 2.636731 2.766224 3.361436 0.000000 5.666050 6.740386 6.817583 5.731939 4.433266 4.341405 7.832004 5.942444 7.720258 6.079417 3.654453 3.292857 3.989119 2.103932 5.132647 5.271780 6.066251 5.329773 4.182971 5.266578 4.185317 3.769004 2.626793 2.877067 2.518103 3.673012 1.105471 0.000000 5.646643 6.877719 7.273123 6.443867 5.114140 4.562979 8.333952 5.619672 7.715806 7.012246 4.642713 3.237722 3.594526 2.129064 4.948469 5.156512 5.658271 5.455815 3.239514 4.198307 3.354528 2.479012 2.780129 2.544608 3.277902 3.729557 1.107584 1.779950 0.000000 5.115744 6.358500 6.744942 5.900183 4.540639 3.984036 7.818212 5.132307 7.222673 6.482757 4.059148 2.628405 2.676492 2.100395 3.737150 3.715620 4.637746 4.186854 2.653579 3.755161 2.458704 2.540793 3.358752 3.684613 3.707505 4.190885 1.097073 1.776717 1.786865 0.000000 2.978361 4.120881 5.168456 5.231905 4.374605 3.113048 6.123888 2.356934 4.477463 6.232057 4.880374 2.677541 2.722117 3.274043 3.662390 4.582357 3.566766 4.117371 2.865232 2.808068 3.968908 2.626407 3.729914 3.896154 4.796873 3.395953 4.250323 5.227311 4.282657 4.492954 0.000000 3.547108 4.453441 5.456456 5.621044 4.918882 3.808442 6.315256 3.015875 4.693914 6.583068 5.461510 3.582406 3.818785 3.959336 4.743720 5.686638 4.577882 5.125193 3.895273 3.769596 4.984267 3.485605 4.047544 4.034167 5.118980 3.546611 4.976110 5.887743 4.878813 5.379170 1.112233 0.000000 4.921274 5.873971 6.808150 6.840235 6.028341 4.973047 7.673622 4.382073 6.133471 7.739595 6.396018 4.440502 4.594660 4.450438 5.684109 6.489853 5.546833 6.228322 4.247911 4.105427 5.226055 3.551910 4.445435 4.065518 5.527211 4.174859 5.161597 6.070506 4.750060 5.639519 2.137340 1.443566 0.000000 3.701569 4.411753 5.560334 5.987844 5.467604 4.325054 6.313209 3.015915 4.389047 6.993165 6.157314 4.316629 4.381027 4.915121 5.035471 6.015435 4.642099 5.381361 4.499395 4.141479 5.593241 4.275822 5.049424 5.106233 6.092644 4.442703 5.968139 6.900782 5.915261 6.275132 1.787790 1.101063 2.098081 0.000000 3.305945 4.030682 4.825353 4.933891 4.348646 3.475188 5.642342 3.109923 4.380936 5.822700 4.901337 3.533024 4.154908 3.772126 5.113669 6.108295 5.097932 5.293918 4.499471 4.577088 5.572841 4.053000 3.520080 3.579563 4.509718 2.802136 4.960200 5.728061 4.966865 5.519200 1.784344 1.100662 2.100208 1.777270 0.000000 5.344067 6.371760 7.093538 6.837343 5.882827 5.009686 8.014301 5.011812 6.842183 7.619133 6.009856 4.264984 4.640029 3.816089 5.948137 6.652484 6.065423 6.481724 4.236122 4.424431 5.074698 3.290030 3.632847 2.981242 4.647597 3.636005 4.307940 5.097730 3.730793 4.964650 2.762087 2.397615 1.441608 3.349103 2.621493 0.000000 5.656761 6.695086 7.780135 7.875241 6.998891 5.794215 8.666636 4.900786 6.849959 8.833800 7.367160 5.082158 4.826255 5.224831 5.774498 6.443196 5.471142 6.508382 4.125820 3.687534 4.988423 3.540101 5.520867 5.142570 6.617203 5.390904 5.700544 6.706618 5.193381 5.962240 2.718508 2.395955 1.442140 2.657764 3.352511 2.399761 0.000000 5.233520 6.119704 6.660647 6.338568 5.481421 4.826442 7.528771 5.109150 6.655805 7.027304 5.581350 4.301967 4.990785 3.714109 6.310119 7.083085 6.518287 6.679329 4.863945 5.181186 5.723497 3.956143 3.125184 2.426408 4.051164 2.989579 4.383474 5.005899 3.936399 5.205419 3.133689 2.651225 2.092359 3.623069 2.395155 1.100736 3.348340 0.000000 6.439257 7.464399 8.180284 7.901090 6.932539 6.087611 9.088286 6.069395 7.907614 8.648976 6.990401 5.263870 5.551754 4.693922 6.869597 7.494835 6.965177 7.475202 4.947987 5.085811 5.667016 3.936392 4.472394 3.645514 5.404343 4.585316 4.946365 5.674632 4.174529 5.602275 3.765755 3.351165 2.094533 4.176469 3.630048 1.100736 2.625922 1.778654 0.000000 5.092075 6.257698 6.957417 6.561809 5.455230 4.555322 7.953331 4.780185 6.834801 7.338708 5.463609 3.554154 3.849884 3.002804 5.230115 5.825098 5.480881 5.820526 3.353081 3.730611 4.096040 2.328489 3.130556 2.557708 4.143583 3.405522 3.292065 4.150468 2.682359 3.890992 2.628541 2.729413 2.143838 3.762515 3.020492 1.115337 2.771175 1.785492 1.791577 0.000000 6.703595 7.740438 8.778289 8.812015 7.902723 6.752248 9.662200 5.983686 7.911596 9.732142 8.189023 5.955639 5.725991 5.905437 6.738045 7.331435 6.473079 7.512458 4.879290 4.488077 5.618120 4.172539 6.107273 5.554387 7.169102 6.068655 6.211301 7.166641 5.536616 6.521467 3.742399 3.349906 2.096051 3.643581 4.181867 2.642331 1.100924 3.621498 2.386638 3.117525 0.000000 5.749606 6.668187 7.858186 8.145032 7.394377 6.140339 8.672804 4.889459 6.645876 9.149545 7.895574 5.610949 5.258025 5.973048 5.989431 6.704426 5.494463 6.690884 4.667144 4.025446 5.561743 4.291145 6.293909 6.023576 7.399365 6.024535 6.570608 7.601212 6.162958 6.761559 3.042573 2.634297 2.094107 2.416632 3.640156 3.350594 1.100955 4.170186 3.621059 3.783197 1.778233 0.000000 5.478174 6.647812 7.753626 7.767104 6.779119 5.510481 8.704998 4.675990 6.871530 8.739663 7.085166 4.607267 4.108967 4.816461 5.026972 5.571696 4.756536 5.873569 3.200256 2.704826 3.975536 2.700311 5.387418 5.099744 6.468680 5.410698 5.126123 6.185961 4.646323 5.217139 2.594844 2.742819 2.142152 3.110128 3.752154 2.751296 1.114934 3.774425 3.063355 2.659219 1.789697 1.787695 0.000000 C12H26BN4(2) C1 1 C1 1 C1 1 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 0 210.96619999999996 AuxInfo=1/0/N:15,19,23,27,3,2,4,1,5,12,13,14,6;32,36,37,33/E:(1,2,3,4)(6,7)(8,9)(11,12);(1,2,3)/CRV:5.3,6.3,7.3,8.3,9.3;/rA:43nC3C3C3C3C3NHHHHHBNNCHHHCHHHCHHHCHHHHCNHHCCHHHHHH/rB:s1;s2;s3;s4;s1s5;s3;s1;s2;s4;s5;s6;s12;s12;s13;s15;s15;s15;s13;s19;s19;s19;s14;s23;s23;s23;s14;s27;s27;s27;;s31;s32;s32;s32;s33;s33;s36;s36;s36;s37;s37;s37;/rC:1.7044,-1.1142,.7855;2.7621,-1.9621,.6254;3.8076,-1.6678,-.2854;3.6993,-.4505,-1.0047;2.6296,.379,-.8314;1.5869,.0781,.0565;4.6557,-2.3382,-.4191;.8844,-1.3284,1.4696;2.7802,-2.8798,1.2169;4.4789,-.1464,-1.7063;2.5385,1.3306,-1.354;.4241,.9719,.2089;-.1172,1.1797,1.5182;-.1168,1.6002,-.9571;.678,1.1148,2.7237;.603,2.0592,3.2939;.3472,.3001,3.3955;1.7362,.9496,2.4855;-1.5048,1.49,1.7666;-1.9297,.791,2.5111;-1.6493,2.5142,2.1612;-2.0968,1.3871,.8485;-.0252,1.0324,-2.2831;-1.0217,.995,-2.7582;.6314,1.625,-2.9483;.3675,.0083,-2.2432;-.7842,2.8804,-.9304;-.3338,3.5678,-1.6698;-1.8617,2.8007,-1.1743;-.6886,3.3483,.0573;-1.2627,-1.0828,.5288;-1.6374,-1.9451,-.0654;-2.9958,-1.7652,-.5194;-1.5599,-2.8453,.5638;-.9581,-2.0767,-.9214;-3.1168,-.6991,-1.4821;-3.9246,-1.6324,.5758;-2.4773,-.9038,-2.3543;-4.1559,-.6232,-1.8374;-2.8194,.297,-1.0781;-4.957,-1.5802,.1969;-3.8552,-2.5076,1.2401;-3.7443,-.7239,1.1965; 0.5381048 0.3057149 0.2826031 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. One-electron integral symmetry used in STVInt 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= 993 993 993 993 993 MxSgAt= 43 MxSgA2= 43. 1 open 1 1 1 -716.496714385242 -716.677959162749 -0.181244777508 -716.866231646503 -0.188272483754 -716.866523035628 -0.000291389125 -716.866583776680 -0.000060741051 -716.866590727975 -0.000006951295 -716.866591410010 -0.000000682036 -716.866591553027 -0.000000143017 -716.866591606414 -0.000000053387 -716.866591632391 -0.000000025977 -716.866591644166 -0.000000011774 -716.866591647219 -0.000000003053 -716.866591647653 -0.000000000434 -716.866591647729 -0.000000000077 -716.866591647800 -0.000000000071 -716.866591648 15 0.7786 7.126300896214e+02 -4.260960106561e+03 1.532936006509e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3145728000 LenX= 3143698234 LenY= 3142693228 Requested convergence on RMS density matrix=1.00D-08 within 32 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 0.7786 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 C C C C C N H H H H H B N N C H H H C H H H C H H H C H H H H C N H H C C H H H H H H 13 13 13 13 13 14 1 1 1 1 1 11 14 14 13 1 1 1 13 1 1 1 13 1 1 1 13 1 1 1 1 13 14 1 1 13 13 1 1 1 1 1 1 0.01291 -0.02738 0.03337 -0.02722 0.01255 0.01494 -0.00783 -0.00472 0.00145 0.00145 -0.00465 -0.00372 0.00723 0.00824 -0.00054 -0.00002 -0.00004 0.00008 0.00112 0.00038 0.00004 -0.00003 -0.00046 -0.00004 -0.00004 0.00010 0.00118 0.00040 0.00004 -0.00004 -0.00000 0.00027 0.00032 0.00008 0.00003 0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 14.50841 -30.77562 37.51172 -30.59708 14.10989 4.82675 -34.98906 -21.07916 6.48019 6.49864 -20.78156 -5.32929 2.33565 2.66108 -0.60273 -0.09765 -0.16154 0.36340 1.25700 1.69376 0.17575 -0.14873 -0.51836 -0.15798 -0.17730 0.46147 1.32434 1.80333 0.19327 -0.15745 -0.00505 0.29863 0.10272 0.35401 0.13177 0.00593 0.00578 -0.00171 -0.00294 -0.00800 0.00279 0.00037 -0.00532 5.17696 -10.98151 13.38511 -10.91780 5.03476 1.72230 -12.48497 -7.52157 2.31229 2.31888 -7.41538 -1.90162 0.83342 0.94954 -0.21507 -0.03484 -0.05764 0.12967 0.44853 0.60438 0.06271 -0.05307 -0.18496 -0.05637 -0.06326 0.16466 0.47256 0.64347 0.06896 -0.05618 -0.00180 0.10656 0.03665 0.12632 0.04702 0.00212 0.00206 -0.00061 -0.00105 -0.00286 0.00100 0.00013 -0.00190 4.83948 -10.26564 12.51256 -10.20609 4.70655 1.61003 -11.67109 -7.03125 2.16156 2.16771 -6.93198 -1.77766 0.77909 0.88764 -0.20105 -0.03257 -0.05388 0.12122 0.41929 0.56498 0.05863 -0.04961 -0.17290 -0.05270 -0.05914 0.15393 0.44175 0.60153 0.06447 -0.05252 -0.00168 0.09961 0.03426 0.11809 0.04395 0.00198 0.00193 -0.00057 -0.00098 -0.00267 0.00093 0.00013 -0.00177 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 -0.047361 0.024002 -0.073513 0.017592 -0.060355 -0.090544 0.017610 0.008084 0.003714 0.000637 -0.017271 0.007127 -0.005088 0.003664 -0.002018 -0.001104 -0.000811 -0.004537 0.003753 0.001193 0.000507 0.002089 0.000980 0.000707 -0.000584 0.001432 -0.000349 -0.000360 0.000977 -0.000203 0.004833 0.002810 0.001718 0.001758 0.002564 0.001312 0.000988 0.001125 0.000799 0.001758 0.000683 0.000781 0.001118 -0.062343 0.013161 -0.092114 0.025818 -0.058798 -0.083459 -0.000998 -0.016103 -0.001041 0.002967 0.016461 0.009029 0.014213 0.005808 -0.000825 -0.000170 -0.001611 -0.000262 -0.001873 -0.000943 0.000026 -0.001037 -0.002421 -0.001264 -0.000782 -0.004640 0.002977 0.001071 -0.000021 0.001341 -0.002001 -0.000848 -0.000723 -0.000298 -0.000938 -0.000749 -0.000467 -0.000797 -0.000448 -0.000901 -0.000323 -0.000329 -0.000563 0.109705 -0.037163 0.165627 -0.043410 0.119152 0.174004 -0.016611 0.008019 -0.002673 -0.003604 0.000810 -0.016157 -0.009124 -0.009473 0.002842 0.001274 0.002422 0.004800 -0.001880 -0.000250 -0.000533 -0.001052 0.001441 0.000557 0.001367 0.003208 -0.002629 -0.000711 -0.000956 -0.001138 -0.002832 -0.001961 -0.000995 -0.001459 -0.001625 -0.000563 -0.000521 -0.000328 -0.000351 -0.000856 -0.000360 -0.000451 -0.000555 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 0.119445 -0.046904 0.204334 -0.048816 0.113129 0.190140 -0.027432 0.012070 -0.003831 -0.005027 0.001464 0.004215 0.011943 0.014638 -0.001967 -0.000744 -0.000975 -0.000840 -0.001924 -0.000633 -0.001342 -0.001243 -0.002101 -0.000802 -0.001739 -0.000238 -0.003433 -0.001327 -0.001504 -0.001906 0.001273 0.001522 0.000311 0.001839 0.002313 0.000162 0.000298 0.000263 0.000061 -0.000223 0.000169 0.000417 0.000123 0.184309 -0.071806 0.319493 -0.059622 0.179856 0.288961 0.008277 -0.014719 -0.004613 -0.001657 0.009480 0.004675 -0.009311 -0.009686 -0.002236 -0.000853 -0.002331 -0.000332 -0.002020 -0.001435 -0.000977 -0.000604 0.002557 0.001976 0.001884 0.005018 0.000608 0.000328 0.000521 -0.000090 -0.000969 0.000185 0.000311 -0.000305 0.001870 0.000619 -0.000143 0.001043 0.000378 0.000613 -0.000017 -0.000248 -0.000323 0.173245 -0.059361 0.311322 -0.065843 0.175468 0.293616 0.021377 0.001117 -0.001149 -0.002899 -0.013283 0.010303 -0.011923 -0.013034 0.002090 0.001852 0.001010 0.004545 0.000865 0.000166 0.000739 0.000174 -0.002182 -0.000622 -0.002381 -0.000292 -0.000541 -0.000970 -0.000447 0.000112 -0.000405 -0.000024 0.000012 -0.000285 0.000812 0.000020 0.000008 0.000143 0.000016 -0.000076 -0.000002 -0.000085 -0.000007 -0.6802 0.733 -0.0057 -0.5434 -0.4989 0.6751 0.492 0.4623 0.7377 -0.1745 -0.1667 0.3412 -23.421 -22.366 45.787 -8.357 -7.981 16.338 -7.812 -7.461 15.273 1 C 13 0.4973 0.4778 0.7242 -0.0189 0.8405 -0.5415 0.8674 -0.2556 -0.427 -0.1256 0.0525 0.0732 -16.859 7.04 9.819 -6.016 2.512 3.504 -5.624 2.348 3.275 2 C 13 -0.3876 -0.6243 0.6783 0.777 -0.6172 -0.124 0.496 0.4789 0.7243 -0.3035 -0.2868 0.5903 -40.726 -38.487 79.213 -14.532 -13.733 28.265 -13.585 -12.838 26.422 3 C 13 0.4748 0.4783 0.7388 0.7145 0.2807 -0.6409 -0.5139 0.8322 -0.2085 -0.1244 0.0519 0.0725 -16.687 6.964 9.723 -5.954 2.485 3.469 -5.566 2.323 3.243 4 C 13 0.8507 -0.4659 -0.2433 0.2372 0.7534 -0.6132 0.469 0.464 0.7515 -0.1737 -0.166 0.3397 -23.315 -22.276 45.59 -8.319 -7.948 16.268 -7.777 -7.43 15.207 5 C 13 0.785 -0.6104 -0.1055 -0.3988 -0.6284 0.6679 0.474 0.4822 0.7368 -0.2772 -0.2748 0.5521 -10.692 -10.6 21.292 -3.815 -3.782 7.597 -3.567 -3.536 7.102 6 N 14 -0.3877 -0.6258 0.6768 0.4934 0.4794 0.7258 0.7786 -0.6153 -0.1229 -0.0411 0.0031 0.038 -21.938 1.672 20.266 -7.828 0.597 7.231 -7.318 0.558 6.76 7 H 1 -0.4526 0.8568 -0.2472 0.5052 0.4748 0.7206 0.7348 0.2013 -0.6478 -0.0228 -0.0016 0.0244 -12.166 -0.835 13.001 -4.341 -0.298 4.639 -4.058 -0.279 4.337 8 H 1 0.4987 0.4867 0.7173 0.0751 0.8001 -0.5951 0.8635 -0.3506 -0.3625 -0.0067 -5.0E-4 0.0072 -3.553 -0.291 3.844 -1.268 -0.104 1.372 -1.185 -0.097 1.282 9 H 1 0.4951 0.4779 0.7256 -0.6398 -0.3646 0.6766 -0.5879 0.7992 -0.1252 -0.0066 -5.0E-4 0.0071 -3.545 -0.254 3.798 -1.265 -0.09 1.355 -1.182 -0.085 1.267 10 H 1 0.8683 -0.1886 -0.4587 0.4882 0.4882 0.7234 -0.0875 0.8521 -0.516 -0.0226 -0.0018 0.0244 -12.057 -0.938 12.994 -4.302 -0.335 4.637 -4.022 -0.313 4.334 11 H 1 -0.1125 -0.3161 0.942 0.8395 -0.5375 -0.0801 0.5317 0.7818 0.3258 -0.0202 0.004 0.0162 -3.454 0.682 2.772 -1.232 0.243 0.989 -1.152 0.227 0.925 12 B 11 0.5483 0.1076 0.8293 0.7185 -0.5679 -0.4014 0.4278 0.816 -0.3887 -0.0168 -0.0093 0.0262 -0.649 -0.36 1.009 -0.232 -0.128 0.36 -0.216 -0.12 0.336 13 N 14 0.1054 0.4406 0.8915 0.788 -0.5839 0.1954 0.6066 0.6819 -0.4087 -0.0171 -0.0096 0.0266 -0.658 -0.37 1.028 -0.235 -0.132 0.367 -0.219 -0.123 0.343 14 N 14 0.8482 0.5138 0.1288 -0.3666 0.7449 -0.5575 -0.3823 0.4256 0.8201 -0.0035 -0.0014 0.005 -0.476 -0.191 0.667 -0.17 -0.068 0.238 -0.159 -0.064 0.222 15 C 13 0.6655 0.7006 -0.2575 0.6946 -0.4551 0.5572 -0.2732 0.5497 0.7894 -0.0016 -0.0013 0.0029 -0.831 -0.694 1.525 -0.297 -0.248 0.544 -0.277 -0.232 0.509 16 H 1 0.7312 0.646 0.2193 -0.4998 0.726 -0.4723 -0.4644 0.2357 0.8537 -0.0024 -0.0016 0.004 -1.265 -0.852 2.118 -0.452 -0.304 0.756 -0.422 -0.284 0.706 17 H 1 0.9547 0.2803 -0.1002 -0.2917 0.8142 -0.502 -0.0591 0.5085 0.859 -0.0047 -0.0028 0.0075 -2.534 -1.475 4.008 -0.904 -0.526 1.43 -0.845 -0.492 1.337 18 H 1 0.0366 -0.6623 0.7483 0.417 0.6906 0.5909 0.9082 -0.2905 -0.3015 -0.0027 -0.0023 0.005 -0.368 -0.308 0.676 -0.131 -0.11 0.241 -0.123 -0.103 0.226 19 C 13 0.5026 0.63 0.592 -0.2022 0.7515 -0.628 0.8405 -0.1959 -0.5051 -0.0013 -9.0E-4 0.0022 -0.689 -0.486 1.176 -0.246 -0.174 0.419 -0.23 -0.162 0.392 20 H 1 0.6855 0.4026 0.6067 0.1859 0.7088 -0.6804 0.704 -0.5792 -0.411 -0.0011 -0.001 0.0022 -0.612 -0.553 1.164 -0.218 -0.197 0.415 -0.204 -0.184 0.388 21 H 1 0.3435 0.933 0.107 0.122 -0.1574 0.98 0.9312 -0.3236 -0.1679 -0.0015 -0.0012 0.0026 -0.787 -0.616 1.403 -0.281 -0.22 0.501 -0.263 -0.206 0.468 22 H 1 0.2778 0.9257 0.2568 0.7268 -0.0277 -0.6863 0.6282 -0.3773 0.6805 -0.0037 -0.0014 0.005 -0.491 -0.182 0.672 -0.175 -0.065 0.24 -0.164 -0.061 0.224 23 C 13 0.4552 0.8744 -0.1677 -0.5453 0.4227 0.7239 0.7039 -0.2381 0.6692 -0.0016 -0.0013 0.0029 -0.833 -0.691 1.524 -0.297 -0.247 0.544 -0.278 -0.23 0.508 24 H 1 0.467 0.8375 0.2838 0.7514 -0.2066 -0.6267 0.4662 -0.5059 0.7258 -0.0026 -0.0017 0.0042 -1.365 -0.895 2.26 -0.487 -0.319 0.807 -0.455 -0.299 0.754 25 H 1 0.018 0.9995 0.0256 0.7663 0.0026 -0.6425 0.6422 -0.0312 0.7659 -0.0047 -0.0028 0.0074 -2.482 -1.481 3.963 -0.886 -0.529 1.414 -0.828 -0.494 1.322 26 H 1 -0.5022 -0.2181 0.8368 0.6825 0.4941 0.5385 -0.5309 0.8416 -0.0993 -0.0029 -0.0024 0.0052 -0.383 -0.316 0.699 -0.137 -0.113 0.249 -0.128 -0.105 0.233 27 C 13 0.5798 0.5625 0.5894 -0.6678 -0.0863 0.7393 -0.4667 0.8223 -0.3256 -0.0013 -9.0E-4 0.0022 -0.701 -0.477 1.178 -0.25 -0.17 0.42 -0.234 -0.159 0.393 28 H 1 0.3022 0.6662 0.6818 -0.5328 -0.475 0.7003 0.7904 -0.575 0.2114 -0.0012 -0.001 0.0022 -0.62 -0.56 1.18 -0.221 -0.2 0.421 -0.207 -0.187 0.393 29 H 1 0.8294 0.5576 0.0339 -0.007 -0.0504 0.9987 -0.5586 0.8286 0.0379 -0.0015 -0.0011 0.0026 -0.794 -0.61 1.404 -0.283 -0.218 0.501 -0.265 -0.203 0.468 30 H 1 0.0709 0.2887 0.9548 -0.2082 0.9404 -0.2688 0.9755 0.1797 -0.1268 -0.003 -0.0022 0.0052 -1.615 -1.156 2.771 -0.576 -0.413 0.989 -0.539 -0.386 0.924 31 H 1 -0.0785 0.1266 0.9888 -0.3317 0.9321 -0.1456 0.9401 0.3395 0.0312 -0.002 -0.0014 0.0034 -0.266 -0.186 0.452 -0.095 -0.066 0.161 -0.089 -0.062 0.151 32 C 13 -0.1213 0.0846 0.989 -0.1119 0.9888 -0.0983 0.9863 0.1226 0.1105 -0.001 -8.0E-4 0.0018 -0.04 -0.029 0.069 -0.014 -0.01 0.025 -0.013 -0.01 0.023 33 N 14 -0.1688 0.4488 0.8775 -0.4856 0.7369 -0.4703 0.8577 0.5055 -0.0936 -0.0015 -0.0013 0.0029 -0.825 -0.709 1.534 -0.294 -0.253 0.547 -0.275 -0.237 0.512 34 H 1 -0.4245 0.1855 0.8862 -0.3103 0.8897 -0.3349 0.8506 0.4171 0.3201 -0.0024 -0.0021 0.0044 -1.254 -1.094 2.348 -0.448 -0.39 0.838 -0.418 -0.365 0.783 35 H 1 -0.2337 0.7743 0.5881 -0.1797 -0.6289 0.7565 0.9555 0.0711 0.2861 -8.0E-4 -7.0E-4 0.0015 -0.105 -0.097 0.203 -0.037 -0.035 0.072 -0.035 -0.032 0.068 36 C 13 0.1914 -0.6404 0.7438 -0.0859 0.744 0.6627 0.9777 0.1908 -0.0874 -6.0E-4 -5.0E-4 0.0011 -0.076 -0.066 0.142 -0.027 -0.024 0.051 -0.025 -0.022 0.047 37 C 13 -0.4461 -0.1247 0.8862 -0.1626 0.9851 0.0568 0.8801 0.1188 0.4597 -9.0E-4 -8.0E-4 0.0017 -0.466 -0.444 0.91 -0.166 -0.158 0.325 -0.155 -0.148 0.303 38 H 1 -0.2898 0.1849 0.9391 0.0093 0.9817 -0.1904 0.9571 0.0465 0.2862 -5.0E-4 -5.0E-4 9.0E-4 -0.248 -0.241 0.488 -0.088 -0.086 0.174 -0.083 -0.08 0.163 39 H 1 -0.1829 0.3057 0.9344 0.1439 0.9485 -0.2821 0.9725 -0.0829 0.2175 -0.001 -9.0E-4 0.0019 -0.534 -0.487 1.021 -0.191 -0.174 0.364 -0.178 -0.162 0.341 40 H 1 0.024 -0.0464 0.9986 -0.1602 0.9858 0.0497 0.9868 0.1612 -0.0162 -4.0E-4 -4.0E-4 7.0E-4 -0.192 -0.187 0.379 -0.069 -0.067 0.135 -0.064 -0.062 0.127 41 H 1 0.1508 0.1195 0.9813 -0.3273 0.9427 -0.0645 0.9328 0.3114 -0.1813 -5.0E-4 -5.0E-4 0.001 -0.267 -0.25 0.517 -0.095 -0.089 0.184 -0.089 -0.083 0.172 42 H 1 PT12261.500S Mon Jul 1 11:21:56 2024 -14.45231 -14.42653 -14.42624 -14.42350 -10.30936 -10.30911 -10.30748 -10.30730 -10.30589 -10.30578 -10.29950 -10.29933 -10.29562 -10.27773 -10.27758 -10.26688 -6.85863 -1.04997 -1.02390 -1.01372 -0.99928 -0.88896 -0.85274 -0.81215 -0.80328 -0.80090 -0.79907 -0.75552 -0.72253 -0.72065 -0.70506 -0.68141 -0.63868 -0.59856 -0.58047 -0.56345 -0.56071 -0.55560 -0.55356 -0.55111 -0.54545 -0.54368 -0.53621 -0.52479 -0.50808 -0.50565 -0.49031 -0.48119 -0.47632 -0.47228 -0.47069 -0.46609 -0.45498 -0.45079 -0.44640 -0.44433 -0.44268 -0.44112 -0.42952 -0.42324 -0.37922 -0.34648 -0.33745 -0.29747 -0.29066 -0.18750 0.06772 0.09032 0.10807 0.11558 0.12580 0.13547 0.14119 0.14655 0.15086 0.15329 0.15617 0.16205 0.16684 0.17043 0.17433 0.17896 0.18084 0.18679 0.19345 0.19841 0.20242 0.20591 0.20912 0.21383 0.21694 0.21823 0.22963 0.23420 0.23574 0.23985 0.24372 0.25568 0.26210 0.26348 0.27027 0.27336 0.27983 0.28516 0.28609 0.28953 0.29192 0.29690 0.30591 0.31257 0.31840 0.32527 0.32732 0.33659 0.34250 0.35255 0.35442 0.36221 0.36632 0.36699 0.37526 0.38172 0.39193 0.39721 0.40556 0.40948 0.41446 0.42399 0.42517 0.42945 0.43302 0.43588 0.43840 0.44613 0.45120 0.45368 0.45862 0.46219 0.46936 0.47472 0.47702 0.48419 0.48701 0.49207 0.49599 0.50224 0.50387 0.50566 0.51071 0.51318 0.51733 0.52274 0.52564 0.52779 0.53282 0.53448 0.53950 0.54178 0.54295 0.54563 0.54824 0.55138 0.56059 0.56377 0.56951 0.57143 0.57882 0.58110 0.58353 0.58876 0.59328 0.59831 0.60384 0.60961 0.61265 0.62359 0.62724 0.63113 0.63271 0.64453 0.64995 0.65866 0.66890 0.67603 0.68254 0.69367 0.69892 0.70148 0.70565 0.71249 0.71861 0.72413 0.73464 0.73997 0.74528 0.75855 0.76041 0.77118 0.77960 0.78290 0.78412 0.79773 0.80236 0.81043 0.81678 0.82271 0.82662 0.83695 0.84588 0.85030 0.86220 0.87013 0.87254 0.87889 0.88624 0.89038 0.90994 0.91570 0.92190 0.92612 0.92928 0.93705 0.94081 0.94481 0.95890 0.97550 0.97961 0.99117 0.99504 1.00809 1.01345 1.01513 1.01898 1.03361 1.04007 1.04076 1.04316 1.04839 1.05142 1.05229 1.06282 1.06556 1.06869 1.07678 1.08191 1.08519 1.09265 1.09754 1.10463 1.11400 1.12123 1.12599 1.13147 1.13468 1.13895 1.14668 1.15016 1.15667 1.16955 1.17365 1.18020 1.18491 1.19646 1.19918 1.20410 1.20706 1.21152 1.21826 1.22597 1.23702 1.24187 1.24814 1.24824 1.25653 1.26191 1.26469 1.27214 1.27565 1.28864 1.29089 1.29425 1.29972 1.30745 1.31124 1.32010 1.32318 1.32525 1.33453 1.34232 1.34621 1.35231 1.35438 1.36152 1.36588 1.37175 1.38353 1.38647 1.39370 1.40185 1.40961 1.41385 1.41597 1.42406 1.42837 1.43512 1.44317 1.44665 1.45410 1.47268 1.47473 1.47916 1.48157 1.48871 1.49484 1.50415 1.50594 1.51255 1.52265 1.52438 1.53158 1.53384 1.54216 1.54894 1.55258 1.55648 1.56643 1.57278 1.57454 1.57772 1.59032 1.59276 1.59839 1.60153 1.61140 1.62184 1.62950 1.63275 1.63651 1.64505 1.65026 1.65420 1.65630 1.66867 1.67210 1.67912 1.70260 1.70406 1.71192 1.71580 1.71889 1.73304 1.74612 1.75119 1.76230 1.76493 1.77504 1.77980 1.79405 1.80087 1.80107 1.80822 1.81334 1.81717 1.82545 1.82947 1.83388 1.84328 1.85271 1.86392 1.87887 1.89759 1.90060 1.92560 1.92967 1.93815 1.95171 1.95450 1.96488 1.97659 1.98640 2.00726 2.02075 2.02845 2.03908 2.04733 2.05349 2.06529 2.07468 2.09746 2.11309 2.11363 2.12107 2.13249 2.14273 2.16078 2.17001 2.18228 2.19947 2.21315 2.22893 2.23724 2.24912 2.25796 2.26910 2.27624 2.31261 2.32023 2.32589 2.34395 2.35530 2.36748 2.38060 2.39468 2.40749 2.41537 2.43600 2.44100 2.45563 2.46270 2.47096 2.49228 2.50350 2.51293 2.54399 2.56584 2.58117 2.58231 2.58629 2.59461 2.60403 2.62681 2.62916 2.64089 2.64459 2.65272 2.65828 2.68078 2.68300 2.68975 2.70954 2.71328 2.71464 2.72570 2.73002 2.74348 2.74782 2.75776 2.76726 2.77403 2.78684 2.78832 2.80329 2.81059 2.81579 2.82137 2.82564 2.84063 2.85300 2.85863 2.86216 2.86808 2.87564 2.88073 2.89096 2.89409 2.89763 2.90046 2.90736 2.91145 2.91497 2.92567 2.92890 2.93486 2.94107 2.94369 2.94665 2.96143 2.96280 2.97434 2.98581 2.98961 2.99065 3.00100 3.00293 3.01600 3.02067 3.02434 3.02796 3.02986 3.03494 3.04108 3.04902 3.06014 3.06375 3.07657 3.07931 3.08398 3.08883 3.09862 3.10433 3.10592 3.10948 3.11500 3.12375 3.12882 3.13456 3.13487 3.14165 3.15518 3.15838 3.16841 3.17353 3.17975 3.18351 3.19662 3.20151 3.20842 3.20990 3.21099 3.22225 3.22916 3.23939 3.23969 3.25238 3.25714 3.26986 3.27154 3.27776 3.28753 3.29068 3.30295 3.31430 3.32217 3.32824 3.33033 3.33958 3.34376 3.35157 3.35714 3.35981 3.37942 3.39048 3.39284 3.40264 3.40682 3.41716 3.42900 3.43263 3.43592 3.44674 3.45130 3.45448 3.46075 3.46470 3.47899 3.48109 3.48396 3.49339 3.50675 3.51457 3.51596 3.52157 3.52937 3.53058 3.53840 3.53920 3.54436 3.55299 3.55809 3.56490 3.57098 3.57865 3.58180 3.59150 3.59530 3.60007 3.60895 3.61156 3.61547 3.62033 3.63110 3.63850 3.64181 3.64748 3.65099 3.66815 3.66999 3.67634 3.67951 3.68922 3.69168 3.69404 3.70131 3.71240 3.71839 3.72258 3.72920 3.73173 3.74952 3.75742 3.76946 3.77653 3.78159 3.78771 3.79641 3.80414 3.80799 3.81352 3.81760 3.83662 3.83710 3.84292 3.85315 3.86171 3.87500 3.87696 3.88955 3.89564 3.90324 3.90869 3.91279 3.91940 3.92642 3.93060 3.93610 3.94324 3.94575 3.95228 3.95752 3.96476 3.97213 3.98003 3.98348 3.98668 3.99642 4.00757 4.01290 4.02449 4.02630 4.03525 4.04590 4.04887 4.07100 4.09584 4.09945 4.10477 4.11032 4.11061 4.12802 4.13311 4.13337 4.14626 4.15578 4.16226 4.17187 4.17846 4.18300 4.18775 4.19377 4.21098 4.21813 4.22050 4.22461 4.23116 4.23233 4.23768 4.24414 4.24461 4.25612 4.25822 4.26448 4.26636 4.27133 4.27369 4.27763 4.29115 4.29509 4.30188 4.30952 4.31451 4.32481 4.33050 4.33238 4.33843 4.34028 4.34606 4.35410 4.35576 4.36148 4.36623 4.37335 4.37912 4.38696 4.38872 4.39070 4.39702 4.40087 4.40992 4.42303 4.43156 4.43343 4.43815 4.44874 4.45342 4.46918 4.47567 4.48406 4.49511 4.50011 4.51329 4.52570 4.54343 4.55196 4.56305 4.56781 4.58535 4.59674 4.63025 4.64582 4.65521 4.66586 4.68083 4.68800 4.70945 4.72069 4.72342 4.73072 4.73707 4.74540 4.75567 4.76121 4.76707 4.78940 4.79854 4.80657 4.81400 4.82093 4.82833 4.83029 4.83529 4.84063 4.85508 4.89100 4.91696 4.92134 4.93353 4.93804 4.98396 4.98949 5.00280 5.00698 5.02517 5.04691 5.04956 5.06138 5.06583 5.07202 5.08166 5.08613 5.08847 5.09327 5.09667 5.09870 5.10261 5.10718 5.11041 5.12021 5.12868 5.13821 5.15155 5.15555 5.15696 5.16560 5.18026 5.18888 5.19708 5.20238 5.20771 5.22769 5.23186 5.23862 5.24326 5.25196 5.25434 5.26011 5.26610 5.27359 5.28118 5.28607 5.28839 5.29392 5.31608 5.31946 5.32391 5.33403 5.33955 5.35748 5.36083 5.37534 5.38213 5.38686 5.40106 5.40474 5.41626 5.42168 5.42553 5.43136 5.43510 5.44519 5.46142 5.46299 5.46732 5.47853 5.48176 5.48710 5.49518 5.49860 5.51296 5.51438 5.52991 5.53609 5.55352 5.57586 5.58838 5.59796 5.60603 5.62525 5.63084 5.64440 5.65360 5.65986 5.66750 5.67194 5.69838 5.70156 5.71040 5.71957 5.72789 5.73788 5.74386 5.74681 5.76101 5.76408 5.77719 5.77845 5.78491 5.80260 5.80853 5.81418 5.81776 5.82583 5.83256 5.84463 5.85124 5.85446 5.88308 5.92903 5.94585 5.96122 5.96802 6.00118 6.01510 6.02542 6.09666 6.10230 6.10957 6.12833 6.20843 6.23190 6.24061 6.26973 6.33568 6.34685 6.81685 16.43043 23.05807 23.18343 23.22411 23.55167 23.71450 23.73150 23.73405 23.74921 23.76744 23.78651 23.81934 23.84580 32.93196 32.98884 33.00917 33.13982 -14.44849 -14.42629 -14.42601 -14.42350 -10.30933 -10.30909 -10.30589 -10.30579 -10.30409 -10.30389 -10.29950 -10.29933 -10.29562 -10.27942 -10.27926 -10.26079 -6.85853 -1.04236 -1.02387 -1.01121 -0.99874 -0.88121 -0.84576 -0.81197 -0.80314 -0.80087 -0.79905 -0.75244 -0.72014 -0.70851 -0.70355 -0.68135 -0.63616 -0.59741 -0.57851 -0.56013 -0.55841 -0.55483 -0.55328 -0.54844 -0.54382 -0.54258 -0.53508 -0.52437 -0.50582 -0.50379 -0.48087 -0.47835 -0.47468 -0.47166 -0.46685 -0.46511 -0.45461 -0.44900 -0.44586 -0.44376 -0.44234 -0.44102 -0.42588 -0.42061 -0.35442 -0.32721 -0.32457 -0.29603 -0.29061 0.03293 0.07331 0.09041 0.11182 0.11574 0.12610 0.13819 0.14133 0.14649 0.15327 0.15355 0.15670 0.16205 0.16706 0.17049 0.17597 0.17903 0.18281 0.19036 0.19366 0.20148 0.20601 0.20723 0.21244 0.21560 0.21814 0.22312 0.23087 0.23476 0.23830 0.23985 0.24482 0.25574 0.26317 0.26458 0.27054 0.27364 0.27990 0.28565 0.28794 0.29029 0.29266 0.29705 0.30711 0.31297 0.31917 0.32578 0.32808 0.33876 0.34377 0.35472 0.35560 0.36306 0.36711 0.36881 0.37578 0.38180 0.39214 0.39757 0.40582 0.40993 0.41492 0.42490 0.42682 0.43169 0.43351 0.43635 0.44115 0.44737 0.45306 0.45515 0.45874 0.46472 0.47217 0.47590 0.47907 0.48468 0.48798 0.49273 0.49669 0.50383 0.50442 0.50662 0.51229 0.51404 0.51742 0.52296 0.52620 0.52832 0.53345 0.53520 0.54003 0.54205 0.54388 0.54582 0.54891 0.55211 0.56166 0.56438 0.57013 0.57233 0.57950 0.58204 0.58503 0.58909 0.59388 0.59902 0.60415 0.61051 0.61400 0.62459 0.62814 0.63235 0.63361 0.64585 0.65107 0.65973 0.66958 0.67668 0.68311 0.69566 0.69967 0.70252 0.70693 0.71296 0.71904 0.72601 0.73565 0.74138 0.74715 0.76013 0.76178 0.77194 0.78109 0.78490 0.78617 0.79958 0.80359 0.81085 0.81716 0.82417 0.82716 0.83795 0.84637 0.85096 0.86277 0.87071 0.87280 0.88080 0.88730 0.89233 0.91034 0.91624 0.92253 0.92723 0.93184 0.93765 0.94173 0.94550 0.95947 0.97665 0.98005 0.99197 0.99573 1.00896 1.01385 1.01531 1.02002 1.03425 1.04070 1.04108 1.04360 1.04985 1.05162 1.05270 1.06407 1.06657 1.06915 1.07713 1.08286 1.08658 1.09392 1.09799 1.10528 1.11593 1.12156 1.12724 1.13208 1.13529 1.13924 1.14785 1.15138 1.15729 1.17104 1.17446 1.18176 1.18546 1.19706 1.19976 1.20484 1.20775 1.21282 1.21930 1.22702 1.23829 1.24290 1.24928 1.24966 1.25766 1.26249 1.26547 1.27366 1.27757 1.28915 1.29166 1.29514 1.30056 1.30818 1.31235 1.32084 1.32350 1.32609 1.33536 1.34477 1.34897 1.35306 1.35494 1.36216 1.36645 1.37198 1.38398 1.38764 1.39486 1.40323 1.41120 1.41631 1.41691 1.42472 1.42948 1.43592 1.44452 1.44746 1.45606 1.47317 1.47515 1.48074 1.48284 1.49018 1.49678 1.50581 1.50705 1.51346 1.52330 1.52582 1.53358 1.53589 1.54296 1.54964 1.55343 1.55710 1.56756 1.57407 1.57476 1.57961 1.59057 1.59450 1.60011 1.60266 1.61531 1.62231 1.63077 1.63505 1.63820 1.64665 1.65228 1.65581 1.65735 1.66961 1.67443 1.68004 1.70328 1.70509 1.71278 1.71656 1.72042 1.73893 1.74817 1.75322 1.76426 1.76711 1.77895 1.78151 1.79781 1.80242 1.80487 1.81099 1.81522 1.82080 1.82685 1.83114 1.83509 1.84440 1.85480 1.86687 1.87976 1.90012 1.90186 1.92749 1.93099 1.93895 1.95291 1.95649 1.96592 1.97855 1.98823 2.00856 2.02320 2.02963 2.04034 2.04995 2.05473 2.06781 2.07715 2.09867 2.11415 2.11600 2.12260 2.13389 2.14481 2.16244 2.17095 2.18464 2.20159 2.21470 2.23055 2.23894 2.25074 2.25986 2.27033 2.27776 2.31360 2.32072 2.32767 2.34781 2.35872 2.36864 2.38285 2.39707 2.40782 2.41699 2.43830 2.44490 2.45915 2.46526 2.47418 2.49674 2.50810 2.51616 2.54640 2.56768 2.58406 2.58628 2.58865 2.59514 2.60459 2.62879 2.63030 2.64256 2.64708 2.65356 2.66053 2.68212 2.68469 2.69160 2.71029 2.71425 2.71572 2.72643 2.73153 2.74516 2.74896 2.75867 2.76807 2.77607 2.79008 2.79342 2.80407 2.81153 2.81694 2.82609 2.82889 2.84161 2.85386 2.85963 2.86351 2.86896 2.87698 2.88092 2.89149 2.89500 2.89847 2.90150 2.90780 2.91223 2.91690 2.92681 2.92978 2.93543 2.94191 2.94477 2.94884 2.96272 2.96373 2.97544 2.98691 2.99041 2.99204 3.00215 3.00382 3.01737 3.02257 3.02774 3.02937 3.03176 3.03684 3.04308 3.05047 3.06117 3.06477 3.07706 3.08108 3.08520 3.09106 3.10028 3.10693 3.10706 3.11120 3.11621 3.12607 3.13121 3.13621 3.13723 3.14464 3.15887 3.16022 3.16975 3.17565 3.18096 3.18480 3.19817 3.20338 3.20995 3.21156 3.21397 3.22427 3.23236 3.24338 3.24398 3.25477 3.26033 3.27101 3.27343 3.27900 3.28985 3.29253 3.30641 3.31816 3.32459 3.33095 3.33365 3.34237 3.34498 3.35386 3.35924 3.36146 3.38042 3.39141 3.39418 3.40377 3.40683 3.41823 3.43207 3.43424 3.43851 3.44733 3.45269 3.45586 3.46206 3.46790 3.48047 3.48283 3.48573 3.49467 3.50883 3.51568 3.51715 3.52295 3.53077 3.53249 3.53909 3.54035 3.54571 3.55538 3.56004 3.56722 3.57227 3.58009 3.58256 3.59239 3.59699 3.60197 3.61013 3.61348 3.61584 3.62210 3.63287 3.64028 3.64254 3.64851 3.65320 3.66894 3.67134 3.67696 3.67998 3.68960 3.69245 3.69470 3.70261 3.71330 3.71981 3.72338 3.72952 3.73257 3.75047 3.75840 3.76982 3.77696 3.78232 3.78877 3.79762 3.80520 3.80979 3.81471 3.81834 3.83757 3.83859 3.84491 3.85378 3.86534 3.87616 3.88062 3.89329 3.89675 3.90428 3.90916 3.91380 3.91981 3.92727 3.93167 3.93715 3.94458 3.94634 3.95438 3.95908 3.96591 3.97273 3.98087 3.98428 3.98769 3.99810 4.00811 4.01336 4.02618 4.02701 4.03593 4.04799 4.05108 4.07169 4.09698 4.09990 4.10579 4.11078 4.11178 4.12839 4.13346 4.13377 4.14693 4.15636 4.16261 4.17228 4.17875 4.18342 4.18792 4.19498 4.21149 4.21869 4.22161 4.22562 4.23215 4.23293 4.23844 4.24453 4.24572 4.25665 4.25920 4.26561 4.26749 4.27173 4.27413 4.27845 4.29171 4.29563 4.30239 4.30978 4.31509 4.32511 4.33081 4.33259 4.33868 4.34077 4.34865 4.35424 4.35753 4.36175 4.36731 4.37464 4.38032 4.38850 4.39036 4.39292 4.39782 4.40166 4.41066 4.42397 4.43263 4.43406 4.43928 4.44936 4.45376 4.46960 4.47654 4.48668 4.49716 4.50155 4.51370 4.52706 4.54575 4.55455 4.56474 4.56861 4.58681 4.59721 4.63092 4.64634 4.65656 4.66773 4.68108 4.68810 4.71019 4.72106 4.72519 4.73116 4.73948 4.74619 4.75597 4.76163 4.76917 4.79096 4.79938 4.80848 4.81494 4.82187 4.83041 4.83097 4.83679 4.84155 4.85556 4.89240 4.91938 4.92487 4.93410 4.93847 4.98496 4.99032 5.00381 5.01232 5.02622 5.04819 5.05118 5.06185 5.06662 5.07327 5.08241 5.08674 5.08991 5.09568 5.09738 5.09945 5.10348 5.10886 5.11065 5.12188 5.13249 5.13935 5.15320 5.15694 5.16149 5.16842 5.18147 5.19006 5.19906 5.20378 5.20921 5.22783 5.23236 5.23981 5.24423 5.25263 5.25549 5.26096 5.26678 5.27392 5.28382 5.28813 5.29020 5.29580 5.31654 5.32157 5.32777 5.33702 5.34130 5.35951 5.36300 5.37596 5.38289 5.38747 5.40178 5.40596 5.41655 5.42227 5.42705 5.43219 5.43546 5.44652 5.46336 5.46515 5.46991 5.47987 5.48372 5.48746 5.49645 5.50024 5.51368 5.51488 5.53078 5.53677 5.55456 5.57628 5.58878 5.59880 5.60646 5.62594 5.63123 5.64511 5.65401 5.66078 5.66935 5.67231 5.69867 5.70173 5.71075 5.71968 5.72877 5.73847 5.74422 5.74737 5.76144 5.76442 5.77818 5.78071 5.78696 5.80338 5.80929 5.81434 5.81871 5.82641 5.83309 5.84710 5.85242 5.85478 5.88337 5.92971 5.94652 5.96141 5.96872 6.00330 6.01607 6.02591 6.09702 6.10279 6.11106 6.13057 6.20985 6.23334 6.24239 6.27138 6.33772 6.34843 6.81884 16.43109 23.05924 23.18243 23.23204 23.55549 23.71452 23.73152 23.73411 23.74922 23.76746 23.78654 23.81948 23.84867 32.93207 32.99064 33.01019 33.14169 2-A. -1.4458 1.8177 0.4849 2.3727 -111.1264 -107.4888 -104.5675 -1.9762 -2.8973 -4.0136 -3.3988 0.2387 3.1601 -1.9762 -2.8973 -4.0136 -27.8055 14.4738 1.3477 7.1005 7.0033 -9.0155 -4.7664 7.0807 12.0859 1.7104 -3596.4150 -1636.6454 -1310.6935 -14.7284 -64.0397 -30.2784 -38.4908 5.8832 0.1195 -898.5182 -823.4330 -483.8938 -29.6532 -14.2952 14.9057 (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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|Beta|Orbitals: (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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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) GINC-NODO01 CECILIA 2024-07-01T00:00:00.000 0 coments 0 2 Version=ES64L-G16RevC.02 State=2-A HF=-716.8665916 S2=0.778648 S2-1=0. S2A=0.750522 RMSD=9.274e-09 Dipole=0.5688207,0.7151425,-0.1907828 Quadrupole=-2.5269598,0.1775017,2.349458,1.469241,-2.1540345,2.9839801 PG=C01 [X(C12H26B1N4)] 0 -1.704428 -1.114186 -0.785483 0 -2.76213 -1.962065 -0.625444 0 -3.807592 -1.667771 0.285398 0 -3.699288 -0.450476 1.004737 0 -2.629642 0.378975 0.831407 0 -1.586944 0.07808 -0.056502 0 -4.655707 -2.338153 0.419122 0 -0.884359 -1.328402 -1.469571 0 -2.780183 -2.879822 -1.216921 0 -4.47892 -0.146387 1.706268 0 -2.538463 1.330594 1.353983 0 -0.4241 0.971893 -0.208927 0 0.117167 1.179729 -1.518178 0 0.116827 1.600226 0.957071 0 -0.67804 1.114778 -2.723704 0 -0.603026 2.059151 -3.293872 0 -0.347176 0.300064 -3.395525 0 -1.736226 0.949639 -2.485507 0 1.504796 1.489961 -1.766572 0 1.929661 0.79103 -2.51107 0 1.64932 2.514203 -2.161175 0 2.096794 1.387072 -0.848475 0 0.025213 1.032366 2.283129 0 1.021711 0.994983 2.758249 0 -0.631395 1.625005 2.948295 0 -0.367541 0.008307 2.243245 0 0.784231 2.880434 0.930401 0 0.333827 3.567835 1.66978 0 1.861674 2.800732 1.174341 0 0.688576 3.348333 -0.057268 0 1.262688 -1.082768 -0.528831 0 1.63737 -1.945079 0.065387 0 2.995839 -1.7652 0.519356 0 1.559859 -2.84534 -0.563788 0 0.958148 -2.076708 0.921418 0 3.116835 -0.699074 1.482149 0 3.924648 -1.632353 -0.575831 0 2.47732 -0.903836 2.354337 0 4.155905 -0.623236 1.837397 0 2.819393 0.297024 1.078052 0 4.956999 -1.580216 -0.196928 0 3.855221 -2.507605 -1.240071 0 3.744343 -0.723883 -1.196516