Gaussian 16 GINC-NODO02 BPR coments ES64L-G16RevC.02 19-Jun-2025 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 29 29 49 50 238 (5D, 7F) def2SVP 81 81 C1[X(C3H20BN2Si3)] C1[X(C3H20BN2Si3)] UwB97XD def2SVP FOpt #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 159.11299999999997 0 2 AuxInfo=1/0/N:22,18,25,29;14,1,2,6,10/E:(2,3);(3,4,5)/CRV:1.3;1.4,2.4/rA:29nN4SiHHHSiHHHSiHHHB4HHHCHHHC3HHCHHHN/rB:s1;s2;s2;s2;s1;s6;s6;s6;s1;s10;s10;s10;s1;s14;s14;s14;;s18;s18;s18;;s22;s22;;s25;s25;s25;s18s22s25;/rC:2.2118,-.2617,-.0882;1.6,-1.7464,.7587;2.7577,-2.3296,1.4995;.5571,-1.3071,1.7118;1.1201,-2.709,-.2575;2.324,1.193,.9824;3.1833,.8224,2.1457;2.9819,2.271,.2033;.9677,1.5586,1.445;3.6651,-.5409,-1.1264;3.4769,-1.8337,-1.8276;3.8241,.6068,-2.0482;4.85,-.6272,-.2223;.9968,.1259,-1.1816;1.3271,-.3476,-2.2625;.9205,1.3505,-1.2072;-.0279,-.3942,-.7543;1.1967,.6709,-5.9284;.5256,.9749,-6.7044;.8386,1.03,-4.9862;2.1686,1.0761,-6.1185;2.2472,-1.3039,-4.7792;2.3042,-2.3721,-4.7552;3.2189,-.8992,-4.9714;-.1192,-1.4495,-5.6178;-.7919,-1.1454,-6.3924;-.062,-2.5177,-5.5942;-.4753,-1.0905,-4.6748;1.2791,-.8665,-5.8942; /usr/local/CompChem/Gaussian/g16/g16 Output=NSiH3_BH3_p_TMA.log chk=NSiH3_BH3_p_TMA.chk Mem=12000MB 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 14 28 1 1 1 28 1 1 1 28 1 1 1 11 1 1 1 12 1 1 1 12 1 1 12 1 1 1 14 14.0030740 27.9769284 1.0078250 1.0078250 1.0078250 27.9769284 1.0078250 1.0078250 1.0078250 27.9769284 1.0078250 1.0078250 1.0078250 11.0093053 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 14.0030740 2 0 1 1 1 0 1 1 1 0 1 1 1 3 1 1 1 0 1 1 1 0 1 1 0 1 1 1 2 -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 1 1 1 1 2 2 2 6 6 6 10 10 10 14 14 14 15 18 18 18 18 22 22 22 25 25 25 25 2 6 10 14 3 4 5 7 8 9 11 12 13 15 16 17 22 19 20 21 29 23 24 29 26 27 28 29 1.8154 1.8096 1.8078 1.6798 1.4931 1.4795 1.4797 1.4929 1.4839 1.479 1.4828 1.4806 1.4929 1.2255 1.2273 1.226 2.8452 1.07 1.07 1.07 1.54 1.07 1.07 1.54 1.07 1.07 1.07 1.54 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 2 2 2 6 6 10 1 1 1 3 3 4 1 1 1 7 7 8 1 1 1 11 11 12 1 1 1 15 15 16 19 19 19 20 20 21 15 15 15 23 23 24 26 26 26 27 27 28 18 18 22 1 1 1 1 1 1 2 2 2 2 2 2 6 6 6 6 6 6 10 10 10 10 10 10 14 14 14 14 14 14 18 18 18 18 18 18 22 22 22 22 22 22 25 25 25 25 25 25 29 29 29 6 10 14 10 14 14 3 4 5 4 5 5 7 8 9 8 9 9 11 12 13 12 13 13 15 16 17 16 17 17 20 21 29 21 29 29 23 24 29 24 29 29 27 28 29 28 29 29 22 25 25 113.7257 114.3642 104.3939 114.456 104.1494 104.0813 106.8337 107.1688 108.7219 110.0526 109.7631 114.0149 107.2864 107.5088 109.0798 109.5235 110.2113 113.0334 107.7096 108.9197 107.4113 113.264 109.6767 109.6734 106.8634 106.7872 106.2489 112.5695 111.6386 112.2501 109.4713 109.4712 109.4712 109.4712 109.4712 109.4712 109.4452 108.991 109.976 109.4712 109.4712 109.4712 109.4713 109.4712 109.4712 109.4712 109.4712 109.4712 109.4712 109.4713 109.4712 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 A52 A53 14 14 15 15 22 22 5 5 -1 -2 182.6171 estimate D2E/DX2|estimate D2E/DX2 183.4934 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 6 6 6 10 10 10 14 14 14 2 2 2 10 10 10 14 14 14 2 2 2 6 6 6 14 14 14 2 2 2 6 6 6 10 10 10 1 1 1 16 16 16 17 17 17 19 19 20 20 21 21 15 15 23 23 24 24 26 26 27 27 28 28 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14 14 14 14 14 14 14 14 14 18 18 18 18 18 18 22 22 22 22 22 22 25 25 25 25 25 25 2 2 2 2 2 2 2 2 2 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 14 14 14 22 22 22 22 22 22 22 22 22 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 3 4 5 3 4 5 3 4 5 7 8 9 7 8 9 7 8 9 11 12 13 11 12 13 11 12 13 15 16 17 15 16 17 15 16 17 23 24 29 23 24 29 23 24 29 22 25 22 25 22 25 18 25 18 25 18 25 18 22 18 22 18 22 -80.528 37.4036 161.0771 53.5359 171.4675 -64.8589 166.6128 -75.4556 48.2179 55.7446 173.4666 -63.6289 -78.2763 39.4457 162.3502 168.7508 -73.5272 49.3773 40.4132 163.6258 -77.6585 174.1378 -62.6496 56.0661 -72.849 50.3637 169.0794 -97.0788 142.2343 22.2419 143.377 22.6901 -97.3022 23.1513 -97.5357 142.472 65.2308 -54.2334 -173.6928 -179.509 61.0268 -58.4326 -51.4587 -170.923 69.6177 179.8889 -60.1111 -60.1111 59.8889 59.8889 179.8889 59.6992 -60.3008 179.9786 59.9786 -60.0214 179.9786 59.9855 179.9855 179.9855 -60.0145 -60.0145 59.9855 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 247 A 238 A 401 247 706.6980912900 29 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 45 out of a maximum of 154 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00036 0.00224 0.00256 0.00268 0.00527 0.00680 0.00843 0.00930 0.01284 0.01503 0.01862 0.02341 0.02690 0.03934 0.04320 0.04914 0.05604 0.05679 0.06437 0.06547 0.06663 0.06813 0.06886 0.06948 0.06970 0.07063 0.07146 0.07351 0.07762 0.07931 0.08228 0.09663 0.10061 0.12019 0.12880 0.14932 0.15435 0.15623 0.15799 0.15935 0.15976 0.16008 0.16015 0.16062 0.16081 0.16086 0.16279 0.16634 0.17161 0.17172 0.17372 0.17502 0.17586 0.17735 0.17799 0.17832 0.17996 0.18484 0.19483 0.21453 0.22819 0.22841 0.23021 0.23388 0.24839 0.25022 0.26001 0.29041 0.31501 0.35132 0.37122 0.37231 0.37246 0.37271 0.37397 0.37492 0.37832 0.41745 0.58724 0.73362 1.13724 -2.24437846e-08 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 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 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 3.39466 3.39481 3.52183 3.15897 2.82524 2.80631 2.80027 2.82552 2.80518 2.80085 2.80288 2.79605 2.81945 2.32456 2.32374 2.32368 8.53247 2.08019 2.08994 2.07494 2.73008 2.06925 2.06921 2.59558 2.08012 2.07512 2.09019 2.72951 2.00172 1.98179 1.81892 1.98560 1.81855 1.83088 1.88475 1.89626 1.91145 1.90180 1.90551 1.96249 1.88371 1.89024 1.91710 1.90274 1.90411 1.96422 1.73910 1.75471 1.79519 2.10293 1.99609 1.99856 1.86902 1.86346 1.86419 1.95361 1.95331 1.95349 1.88909 1.89421 1.91826 1.89089 1.95171 1.91846 1.96897 2.00309 1.30872 2.03435 2.01552 2.01551 1.89401 1.88843 1.91864 1.89141 1.91869 1.95142 2.08890 2.02003 2.08790 2.93935 4.32698 -1.38780 0.67251 2.82219 0.93654 2.99684 -1.13666 2.91863 -1.30425 0.84543 0.95272 3.01030 -1.12138 -1.36983 0.68775 2.83926 2.92970 -1.29591 0.85560 0.67689 2.83615 -1.38098 3.00890 -1.11503 0.95103 -1.29801 0.86125 2.92730 -1.59296 2.59495 0.50235 2.58591 0.49064 -1.60197 0.49442 -1.60086 2.58972 0.91389 -1.32003 2.94491 2.71471 0.48079 -1.53746 -0.32912 -2.56304 1.70190 2.63435 -0.94299 -1.55033 1.15552 0.55060 -3.02674 1.36412 -1.32477 -3.02585 0.56845 -0.56710 3.02720 0.93658 -2.64050 3.02046 -0.55662 -1.16117 1.54493 -0.00000 -0.00001 0.00001 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 -0.00001 -0.00002 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 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 -0.00001 -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 0.00000 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 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -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 0.00001 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 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -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 0.00004 -0.00000 0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00000 -0.00022 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00003 0.00002 0.00001 -0.00006 -0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00002 0.00001 -0.00002 -0.00001 0.00001 0.00001 -0.00004 -0.00002 -0.00004 0.00001 0.00006 0.00000 -0.00002 0.00000 0.00003 0.00002 -0.00003 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00001 0.00031 -0.00024 -0.00010 -0.00000 0.00001 -0.00000 0.00000 0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00007 -0.00006 -0.00005 -0.00006 -0.00006 -0.00002 -0.00002 -0.00003 0.00001 -0.00000 -0.00001 0.00013 0.00011 0.00014 0.00008 0.00006 0.00009 0.00012 0.00010 0.00013 0.00014 0.00009 0.00013 0.00016 0.00011 0.00016 0.00010 0.00005 0.00009 -0.00013 -0.00015 -0.00010 -0.00010 -0.00012 -0.00007 -0.00008 -0.00010 -0.00006 -0.00029 -0.00032 -0.00028 -0.00036 -0.00039 -0.00035 -0.00038 -0.00040 -0.00037 0.00006 0.00007 0.00005 0.00006 0.00007 0.00008 -0.00028 -0.00028 0.00002 0.00002 0.00003 0.00003 0.00013 0.00014 0.00014 0.00014 0.00012 0.00013 -0.00001 -0.00002 0.00004 0.00003 0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00022 -0.00001 -0.00000 -0.00000 0.00000 -0.00002 -0.00002 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00003 0.00006 -0.00010 0.00002 0.00000 0.00001 0.00003 0.00000 -0.00002 -0.00003 -0.00000 0.00004 0.00002 -0.00002 -0.00004 0.00001 -0.00004 -0.00005 0.00000 0.00007 -0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00000 -0.00002 0.00001 0.00001 0.00000 0.00000 -0.00005 0.00010 -0.00006 -0.00001 0.00002 -0.00001 -0.00000 0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00002 0.00001 -0.00005 -0.00004 -0.00016 -0.00015 -0.00016 -0.00005 -0.00004 -0.00004 -0.00003 -0.00002 -0.00003 0.00021 0.00021 0.00025 0.00012 0.00011 0.00016 0.00013 0.00012 0.00017 0.00010 0.00015 0.00013 0.00019 0.00024 0.00022 0.00012 0.00017 0.00015 -0.00011 -0.00010 -0.00009 -0.00006 -0.00005 -0.00005 -0.00010 -0.00009 -0.00008 0.00022 0.00018 0.00021 0.00017 0.00014 0.00016 0.00012 0.00009 0.00011 0.00004 0.00013 0.00005 0.00014 0.00006 0.00015 0.00018 0.00008 0.00009 -0.00000 0.00009 -0.00000 0.00000 0.00009 0.00001 0.00009 -0.00001 0.00008 -0.00003 -0.00002 0.00004 0.00007 -0.00000 0.00001 0.00001 0.00002 -0.00001 -0.00000 -0.00001 0.00002 0.00002 -0.00001 -0.00000 -0.00001 -0.00044 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 -0.00002 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00005 -0.00000 0.00007 -0.00015 0.00001 0.00002 0.00000 0.00005 -0.00001 -0.00002 -0.00003 -0.00001 0.00005 0.00002 -0.00004 -0.00005 0.00002 -0.00003 -0.00008 -0.00002 0.00003 -0.00001 0.00006 0.00001 -0.00003 0.00001 0.00002 0.00003 -0.00004 -0.00000 -0.00003 0.00000 0.00001 0.00001 0.00001 0.00026 -0.00014 -0.00016 -0.00001 0.00003 -0.00001 0.00000 0.00001 0.00002 -0.00002 0.00000 -0.00002 0.00001 0.00001 0.00003 -0.00013 -0.00010 -0.00021 -0.00021 -0.00022 -0.00006 -0.00006 -0.00007 -0.00003 -0.00002 -0.00004 0.00034 0.00032 0.00039 0.00020 0.00018 0.00025 0.00024 0.00022 0.00029 0.00024 0.00024 0.00026 0.00035 0.00035 0.00038 0.00021 0.00021 0.00024 -0.00023 -0.00025 -0.00019 -0.00016 -0.00017 -0.00012 -0.00018 -0.00019 -0.00014 -0.00008 -0.00014 -0.00007 -0.00019 -0.00025 -0.00019 -0.00026 -0.00032 -0.00025 0.00010 0.00020 0.00010 0.00020 0.00013 0.00023 -0.00010 -0.00020 0.00011 0.00002 0.00012 0.00002 0.00013 0.00022 0.00014 0.00024 0.00011 0.00021 3.39463 3.39479 3.52187 3.15903 2.82524 2.80632 2.80028 2.82554 2.80517 2.80085 2.80287 2.79607 2.81946 2.32455 2.32374 2.32367 8.53203 2.08019 2.08994 2.07494 2.73008 2.06924 2.06919 2.59557 2.08012 2.07510 2.09018 2.72951 2.00172 1.98184 1.81892 1.98567 1.81840 1.83090 1.88477 1.89626 1.91150 1.90179 1.90549 1.96245 1.88369 1.89029 1.91713 1.90270 1.90406 1.96424 1.73907 1.75463 1.79517 2.10297 1.99609 1.99862 1.86903 1.86343 1.86421 1.95363 1.95333 1.95346 1.88908 1.89418 1.91826 1.89090 1.95171 1.91847 1.96922 2.00295 1.30856 2.03434 2.01555 2.01549 1.89401 1.88844 1.91866 1.89140 1.91870 1.95140 2.08890 2.02004 2.08793 2.93923 4.32688 -1.38801 0.67230 2.82197 0.93647 2.99678 -1.13673 2.91860 -1.30427 0.84540 0.95307 3.01061 -1.12099 -1.36963 0.68792 2.83951 2.92994 -1.29570 0.85589 0.67713 2.83639 -1.38072 3.00925 -1.11468 0.95140 -1.29779 0.86146 2.92754 -1.59319 2.59471 0.50215 2.58575 0.49047 -1.60209 0.49424 -1.60105 2.58958 0.91381 -1.32017 2.94483 2.71452 0.48054 -1.53764 -0.32937 -2.56336 1.70165 2.63445 -0.94280 -1.55022 1.15572 0.55073 -3.02652 1.36402 -1.32497 -3.02574 0.56846 -0.56698 3.02722 0.93671 -2.64028 3.02061 -0.55638 -1.16106 1.54514 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000016 0.000004 0.000955 0.000226 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.122196e-08 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 1 1 1 1 2 2 2 6 6 6 10 10 10 14 14 14 15 18 18 18 18 22 22 22 25 25 25 25 2 6 10 14 3 4 5 7 8 9 11 12 13 15 16 17 22 19 20 21 29 23 24 29 26 27 28 29 1.7964 1.7965 1.8637 1.6717 1.4951 1.485 1.4818 1.4952 1.4844 1.4821 1.4832 1.4796 1.492 1.2301 1.2297 1.2296 4.5152 1.1008 1.1059 1.098 1.4447 1.095 1.095 1.3735 1.1008 1.0981 1.1061 1.4444 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 2 6 6 10 1 1 1 3 3 4 1 1 1 7 7 8 1 1 1 11 11 12 1 1 1 15 15 16 19 19 19 20 20 21 15 15 15 23 23 24 26 26 26 27 27 28 18 18 22 1 1 1 1 1 1 2 2 2 2 2 2 6 6 6 6 6 6 10 10 10 10 10 10 14 14 14 14 14 14 18 18 18 18 18 18 22 22 22 22 22 22 25 25 25 25 25 25 29 29 29 6 10 14 10 14 14 3 4 5 4 5 5 7 8 9 8 9 9 11 12 13 12 13 13 15 16 17 16 17 17 20 21 29 21 29 29 23 24 29 24 29 29 27 28 29 28 29 29 22 25 25 114.6903 113.5484 104.2164 113.7666 104.1952 104.9019 107.9881 108.6476 109.5182 108.9649 109.1778 112.4422 107.9284 108.3027 109.8419 109.019 109.0974 112.5414 99.643 100.5376 102.8566 120.4893 114.3676 114.509 107.0872 106.7683 106.8104 111.9337 111.9163 111.927 108.2367 108.5302 109.908 108.3401 111.8245 109.9199 112.8135 114.7685 74.9842 116.5598 115.4809 115.48 108.5188 108.1988 109.9301 108.3699 109.933 111.808 119.6851 115.7391 119.6281 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A52 14 15 22 5 -1 168.4126 -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 6 6 6 10 10 10 14 14 14 2 2 2 10 10 10 14 14 14 2 2 2 6 6 6 14 14 14 2 2 2 6 6 6 10 10 10 1 1 1 16 16 16 17 17 17 19 19 20 20 21 21 15 15 23 23 24 24 26 26 27 27 28 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14 14 14 14 14 14 14 14 14 18 18 18 18 18 18 22 22 22 22 22 22 25 25 25 25 25 2 2 2 2 2 2 2 2 2 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 14 14 14 22 22 22 22 22 22 22 22 22 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 3 4 5 3 4 5 3 4 5 7 8 9 7 8 9 7 8 9 11 12 13 11 12 13 11 12 13 15 16 17 15 16 17 15 16 17 23 24 29 23 24 29 23 24 29 22 25 22 25 22 25 18 25 18 25 18 25 18 22 18 22 18 -79.5149 38.5319 161.6995 53.6596 171.7063 -65.1261 167.2253 -74.7279 48.4397 54.587 172.4773 -64.2503 -78.4853 39.4049 162.6773 167.8594 -74.2504 49.022 38.7831 162.4995 -79.1243 172.3972 -63.8863 54.4898 -74.3705 49.346 167.7222 -91.2699 148.6799 28.7823 148.1618 28.1115 -91.786 28.3279 -91.7223 148.3801 52.362 -75.6324 168.7308 155.5415 27.5471 -88.0897 -18.8571 -146.8515 97.5117 150.937 -54.0296 -88.8272 66.2062 31.547 -173.4196 78.1584 -75.9035 -173.3685 32.5696 -32.4922 173.4459 53.662 -151.2896 173.0598 -31.8917 -66.5304 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0193542339 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 0 159.11299999999997 AuxInfo=1/0/N:22,18,25,29;14,1,2,6,10/E:(2,3);(3,4,5)/CRV:1.3;1.4,2.4/rA:29nN4SiHHHSiHHHSiHHHB4HHHCHHHC3HHCHHHN/rB:s1;s2;s2;s2;s1;s6;s6;s6;s1;s10;s10;s10;s1;s14;s14;s14;;s18;s18;s18;;s22;s22;;s25;s25;s25;s18s22s25;/rC:2.2118,-.2617,-.0882;1.6,-1.7464,.7587;2.7577,-2.3296,1.4995;.5571,-1.3071,1.7118;1.1201,-2.709,-.2575;2.324,1.193,.9824;3.1833,.8224,2.1457;2.9819,2.2709,.2033;.9677,1.5586,1.445;3.6651,-.5408,-1.1264;3.4769,-1.8337,-1.8276;3.8241,.6068,-2.0482;4.85,-.6272,-.2223;.9968,.1259,-1.1815;1.327,-.3476,-2.2625;.9205,1.3505,-1.2072;-.0279,-.3943,-.7543;1.1967,.6709,-5.9284;.5256,.9749,-6.7044;.8386,1.03,-4.9862;2.1686,1.0761,-6.1185;2.2472,-1.3039,-4.7792;2.3042,-2.3721,-4.7552;3.2188,-.8992,-4.9714;-.1192,-1.4495,-5.6178;-.7919,-1.1454,-6.3924;-.062,-2.5177,-5.5943;-.4753,-1.0905,-4.6748;1.2791,-.8665,-5.8942; 0.000000 1.815416 0.000000 2.663615 1.493054 0.000000 2.659007 1.479493 2.435762 0.000000 2.685057 1.479659 2.431586 2.481964 0.000000 1.809646 3.035500 3.586613 3.147094 4.267554 0.000000 2.666332 3.321103 3.245586 3.408834 4.743725 1.492947 0.000000 2.663186 4.284572 4.784912 4.577963 5.336540 1.483900 2.431374 0.000000 2.685511 3.434242 4.280769 2.907218 4.597193 1.478979 2.437612 2.471181 0.000000 1.807757 3.044907 3.304270 4.278027 3.454385 3.041625 3.577250 3.184469 4.277364 0.000000 2.664111 3.196785 3.439940 4.618401 2.964105 4.287911 4.788356 4.606276 5.339874 1.482800 0.000000 2.682514 4.285211 4.727157 5.336073 4.638187 3.432011 4.248044 2.923710 4.611747 1.480601 2.474900 0.000000 2.666837 3.574574 3.200066 4.757263 4.271672 3.338406 3.238265 3.474207 4.757125 1.492941 2.432765 2.430922 0.000000 1.679844 2.762934 4.039578 3.258514 2.984238 2.753710 4.041847 3.234198 2.992068 2.750915 3.226195 2.996044 4.041639 0.000000 2.349041 3.340517 4.486456 4.160351 3.104764 3.727844 4.924117 3.959243 4.184338 2.606687 2.649454 2.681803 4.080727 1.225463 0.000000 2.349287 3.730653 4.923948 3.964292 4.173965 2.605614 4.079373 2.662023 2.660819 3.334220 4.130348 3.113158 4.508120 1.227332 2.040250 0.000000 2.340375 2.601457 4.072454 2.693911 2.631160 3.326697 4.494685 4.132725 3.105139 3.714586 3.937968 4.185001 4.912375 1.225962 2.027989 2.036862 0.000000 6.000757 7.122066 8.161771 7.917977 6.602256 7.021625 8.316304 6.583719 7.430254 5.533674 5.318746 4.686526 6.898735 4.782272 3.806991 4.777890 5.422704 0.000000 6.938794 8.016065 9.121742 8.720094 7.448992 7.897383 9.241768 7.445095 8.182250 6.577892 6.354625 5.718017 7.955230 5.607554 4.703327 5.524121 6.130586 1.070000 0.000000 5.248348 6.425905 7.552134 7.099612 6.034959 6.152854 7.510307 5.750211 6.454253 5.035399 5.013777 4.210003 6.444619 3.913843 3.091079 3.793478 4.548454 1.070000 1.747303 0.000000 6.177126 7.455586 8.365418 8.342052 7.055362 7.103600 8.330120 6.484958 7.673509 5.456715 5.346967 4.419080 6.697548 5.162356 4.195669 5.074868 5.980064 1.070000 1.747303 1.747303 0.000000 4.805569 5.593120 6.382420 6.707390 4.867314 6.279865 7.304232 6.176165 6.969402 3.992025 3.241095 3.687248 5.291376 4.068306 2.845169 4.643889 4.712038 2.514809 3.444313 2.733878 2.732078 0.000000 5.122818 5.593727 6.271254 6.782876 4.663114 6.754997 7.655035 6.826700 7.461855 4.286495 3.199311 4.302512 5.483920 4.551925 3.356611 5.325504 5.035598 3.444314 4.262111 3.711567 3.710419 1.070000 0.000000 5.026616 6.014372 6.643196 7.205283 5.468232 6.373841 7.322443 6.073171 7.230448 3.887438 3.289891 3.343543 5.028854 4.511262 3.349815 4.951070 5.346046 2.733151 3.710659 3.063866 2.514021 1.070000 1.747303 0.000000 6.117293 6.610861 7.727077 7.362088 5.644084 7.517634 8.737278 7.572590 7.753306 5.943061 5.238803 5.702633 7.381160 4.838150 3.816254 5.326780 4.977492 2.514810 2.733878 2.732079 3.444314 2.514809 2.732804 3.444314 0.000000 7.038853 7.564361 8.734053 8.217212 6.613443 8.340477 9.621445 8.331589 8.475374 6.925387 6.287523 6.576384 8.376736 5.654008 4.709744 6.003941 5.738917 2.732860 2.515661 3.060704 3.711366 3.444314 3.710925 4.262112 1.070000 0.000000 6.369957 6.611861 7.635947 7.431457 5.469482 7.919243 9.032986 8.112223 8.199261 6.145024 5.213341 6.118694 7.520647 5.251800 4.211795 5.930825 5.285366 3.444314 3.711596 3.710391 4.262112 2.733095 2.514748 3.710990 1.070000 1.747303 0.000000 5.380045 5.853227 7.078880 6.473135 4.967718 6.712295 7.972724 6.859170 6.822961 5.480610 4.927370 5.316488 6.956974 3.981174 3.101563 4.464459 4.006918 2.733096 3.063783 2.513961 3.710619 2.732860 3.061803 3.710995 1.070000 1.747303 1.747303 0.000000 5.911449 6.718450 7.680724 7.652808 5.932328 7.253989 8.433109 7.065555 7.735756 5.341445 4.722538 4.841356 6.706651 4.824239 3.668828 5.197252 5.324402 1.540000 2.148263 2.148263 2.148263 1.540000 2.148263 2.148263 1.540000 2.148263 2.148263 2.148263 0.000000 C3H20BN2Si3(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 0 159.11299999999997 AuxInfo=1/0/N:22,18,25,29;14,1,2,6,10/E:(2,3);(3,4,5)/CRV:1.3;1.4,2.4/rA:29nN4SiHHHSiHHHSiHHHB4HHHCHHHC3HHCHHHN/rB:s1;s2;s2;s2;s1;s6;s6;s6;s1;s10;s10;s10;s1;s14;s14;s14;;s18;s18;s18;;s22;s22;;s25;s25;s25;s18s22s25;/rC:1.7919,-.0023,-.0614;2.3812,1.7147,-.0383;3.2869,1.8451,1.1416;3.1421,1.9322,-1.2883;1.2174,2.6141,.1225;2.9756,-1.1688,-.7777;4.2522,-1.0292,-.0162;2.4293,-2.5347,-.5838;3.1897,-.8277,-2.2008;1.0414,-.5541,1.4878;.2165,.5611,2.0117;.2629,-1.7872,1.2316;2.1513,-.8495,2.4416;.515,.0092,-1.1529;-.5139,.112,-.4952;.5721,-1.0465,-1.7763;.6895,.9846,-1.8747;-4.0411,-1.3188,-.5628;-4.9074,-1.4196,-1.1828;-3.1624,-1.3304,-1.1732;-4.0034,-2.1316,.1321;-2.8679,.1563,1.1021;-2.918,1.0815,1.6373;-2.8324,-.6564,1.7973;-4.1649,1.1824,-.7924;-5.03,1.0824,-1.414;-4.2153,2.1074,-.257;-3.285,1.1702,-1.4012;-4.1134,.0125,.2078; 1.3571360 0.3223953 0.3118404 -66.30422 -66.30340 -66.30156 -14.48030 -14.45688 -10.30658 -10.30528 -10.30523 -6.81442 -5.43460 -5.43374 -5.43156 -3.78409 -3.78320 -3.78158 -3.78122 -3.78107 -3.78073 -3.78041 -3.77856 -3.77822 -0.97795 -0.97326 -0.78704 -0.77022 -0.67370 -0.67325 -0.67031 -0.62979 -0.59401 -0.53875 -0.53413 -0.52766 -0.51211 -0.51180 -0.47758 -0.46673 -0.45817 -0.45329 -0.45262 -0.44074 -0.43885 -0.43529 -0.43426 -0.43153 -0.41211 -0.37463 -0.36134 -0.35683 -0.25586 0.04534 0.09391 0.09539 0.11774 0.12201 0.12412 0.13467 0.14720 0.14848 0.15374 0.16971 0.17321 0.18215 0.19057 0.20149 0.20328 0.20799 0.21482 0.22618 0.24236 0.25220 0.25702 0.26431 0.28075 0.29947 0.29993 0.30546 0.31712 0.34808 0.35048 0.37663 0.37944 0.38437 0.41612 0.42105 0.42168 0.43211 0.43376 0.44237 0.45165 0.45410 0.46998 0.49327 0.49712 0.50795 0.51622 0.54630 0.55764 0.56624 0.57774 0.59586 0.61588 0.62516 0.62914 0.65064 0.65373 0.65908 0.67285 0.68395 0.68622 0.71312 0.72086 0.72381 0.72478 0.73371 0.74352 0.75786 0.75875 0.75969 0.76381 0.77354 0.78266 0.80536 0.81276 0.82417 0.83676 0.85514 0.86286 0.88029 0.92826 0.93444 0.93827 0.97195 0.97520 0.98660 0.98827 0.99398 0.99779 1.01230 1.01919 1.04323 1.11039 1.12320 1.14470 1.16443 1.18556 1.19650 1.28484 1.32876 1.36135 1.37161 1.38187 1.43863 1.45545 1.45717 1.46082 1.53277 1.53720 1.55061 1.55699 1.58628 1.58967 1.61080 1.61969 1.62182 1.63398 1.63838 1.63982 1.68900 1.69092 1.72295 1.73602 1.73917 1.74405 1.76324 1.78706 1.79266 1.79671 1.80904 1.81471 1.83817 1.84168 1.84322 1.85692 1.86751 1.87447 1.90588 1.92961 1.95533 1.96905 1.98816 1.99545 2.00475 2.02576 2.05722 2.05935 2.06557 2.07536 2.11048 2.12470 2.15640 2.20169 2.20793 2.22243 2.26482 2.26554 2.27175 2.28584 2.28961 2.29734 2.31291 2.32798 2.42548 2.47136 2.48602 2.49511 2.49619 2.54829 2.56405 2.58973 2.64730 2.65721 2.70500 2.71024 2.73451 2.75367 2.78374 2.78853 2.80249 2.84008 2.90810 3.01291 3.02108 3.03781 3.13095 3.14225 3.20023 3.20671 -66.30422 -66.30340 -66.30155 -14.48028 -14.45308 -10.30518 -10.30513 -10.29589 -6.81418 -5.43460 -5.43374 -5.43155 -3.78409 -3.78320 -3.78158 -3.78122 -3.78106 -3.78073 -3.78040 -3.77854 -3.77821 -0.97788 -0.96381 -0.78628 -0.75449 -0.67328 -0.67280 -0.65591 -0.62959 -0.59360 -0.53272 -0.52889 -0.52246 -0.51202 -0.51168 -0.47677 -0.46631 -0.45437 -0.45294 -0.45253 -0.43976 -0.43873 -0.43292 -0.42894 -0.42808 -0.41171 -0.36137 -0.35935 -0.31871 0.02811 0.04539 0.09403 0.09537 0.11773 0.12204 0.12421 0.13600 0.14779 0.14870 0.15480 0.17016 0.17330 0.18284 0.19258 0.20244 0.20519 0.21167 0.21803 0.23016 0.24239 0.25298 0.26147 0.26458 0.28336 0.30255 0.30621 0.31116 0.31840 0.34855 0.35138 0.37720 0.37955 0.38947 0.41635 0.42111 0.42256 0.43247 0.43585 0.44272 0.45268 0.45429 0.47130 0.49410 0.49800 0.50814 0.51711 0.54708 0.55778 0.56771 0.57808 0.60095 0.62064 0.62579 0.63316 0.65083 0.65566 0.65945 0.68077 0.68443 0.69738 0.71451 0.72323 0.72418 0.72551 0.73655 0.74605 0.75983 0.76072 0.76291 0.77014 0.77857 0.78395 0.80964 0.81706 0.82812 0.83831 0.85724 0.86588 0.88306 0.93034 0.93488 0.93878 0.97437 0.97642 0.99109 0.99144 0.99486 1.00190 1.01239 1.02373 1.04519 1.11482 1.12421 1.14967 1.16554 1.18915 1.19693 1.28785 1.34241 1.36531 1.37194 1.38237 1.43869 1.45549 1.45729 1.46091 1.53315 1.53746 1.55479 1.55900 1.58920 1.59094 1.61854 1.62195 1.62586 1.63506 1.63870 1.64087 1.68913 1.69105 1.72349 1.73765 1.73962 1.74477 1.77469 1.78863 1.79313 1.80393 1.81249 1.81720 1.83827 1.84198 1.84369 1.85771 1.87067 1.87723 1.90880 1.92989 1.95959 1.97088 1.98832 1.99668 2.01834 2.03010 2.05761 2.05939 2.06621 2.08622 2.11868 2.12828 2.17357 2.20208 2.20812 2.23416 2.26484 2.26557 2.27184 2.28586 2.29003 2.29859 2.32743 2.33671 2.43448 2.47867 2.49115 2.49542 2.49653 2.56054 2.56426 2.59118 2.64753 2.65781 2.70518 2.71048 2.74706 2.75976 2.78397 2.79319 2.80783 2.85263 2.91964 3.01351 3.03039 3.03893 3.13545 3.14668 3.21131 3.21563 2-A. 2.2048 0.0008 1.1298 2.4774 -82.0730 -80.8643 -87.6536 0.4484 3.0135 -0.0095 1.4573 2.6660 -4.1233 0.4484 3.0135 -0.0095 -3.6851 5.9147 13.9502 -9.5539 -1.9753 -35.0152 -16.0628 -3.0152 1.7608 2.8969 -4185.5426 -750.5050 -655.5975 -7.5649 101.0269 11.9563 0.9910 6.2738 -1.8223 -739.4901 -780.8596 -237.6007 9.5243 -8.4865 -5.0632 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 0 159.11299999999997 AuxInfo=1/0/N:22,18,25,29;14,1,2,6,10/E:(2,3);(3,4,5)/CRV:1.3;1.4,2.4/rA:29nN4SiHHHSiHHHSiHHHB4HHHCHHHC3HHCHHHN/rB:s1;s2;s2;s2;s1;s6;s6;s6;s1;s10;s10;s10;s1;s14;s14;s14;;s18;s18;s18;;s22;s22;;s25;s25;s25;s18s22s25;/rC:1.7782,-.2123,-.3391;1.4474,-1.7006,.6108;2.6663,-2.5645,.5548;1.1927,-1.3162,2.0224;.3063,-2.4291,.0082;2.7568,1.0248,.5208;4.0175,.3709,.9883;3.0985,2.1012,-.4426;2.0083,1.5305,1.6959;2.3567,-.5519,-2.0779;1.4905,-1.7102,-2.4061;2.117,.7665,-2.7052;3.7964,-.8942,-1.8878;.2779,.5031,-.5173;-.2029,.0779,-1.5666;.4664,1.7175,-.5573;-.3912,.1743,.4606;1.4423,.5425,-5.6002;.9034,.5662,-6.5597;.7716,.9417,-4.8166;2.3172,1.2018,-5.6749;2.9978,-1.017,-4.5572;3.3196,-2.0601,-4.4719;3.7883,-.269,-4.6776;.827,-1.8097,-5.3278;.2866,-1.7706,-6.2859;1.2685,-2.8091,-5.2169;.0952,-1.6595,-4.512;1.8665,-.8071,-5.3075; 0.000000 1.796378 0.000000 2.668507 1.495051 0.000000 2.671753 1.485034 2.425610 0.000000 2.683572 1.481838 2.426222 2.466033 0.000000 1.796454 3.024936 3.590596 3.190767 4.265753 0.000000 2.667689 3.322556 3.260451 3.448962 4.751186 1.495202 0.000000 2.665652 4.276588 4.790644 4.624536 5.340667 1.484437 2.426065 0.000000 2.689147 3.454328 4.301682 2.979186 4.628581 1.482145 2.425385 2.467219 0.000000 1.863671 3.061918 3.328305 4.330282 3.475604 3.065792 3.607087 3.203601 4.324251 0.000000 2.568908 3.017244 3.298437 4.455997 2.783519 4.201288 4.715858 4.579086 5.253314 1.483222 0.000000 2.582845 4.186979 4.693122 5.248057 4.566491 3.298996 4.172606 2.804328 4.468245 1.479604 2.572185 0.000000 2.633766 3.522983 3.167617 4.716717 4.258139 3.250394 3.149829 3.398258 4.681867 1.491988 2.500412 2.499360 0.000000 1.671652 2.737945 4.032841 3.255200 2.979007 2.737611 4.033487 3.242724 2.991317 2.805360 3.152278 2.870306 4.026289 0.000000 2.348612 3.259993 4.440170 4.095378 3.004023 3.743512 4.942253 4.031968 4.200449 2.685145 2.601864 2.674433 4.128345 1.230106 0.000000 2.343629 3.743061 4.940885 4.047942 4.188084 2.624498 4.100341 2.662364 2.736660 3.322008 4.026960 2.870919 4.436282 1.229672 2.038452 0.000000 2.344220 2.630217 4.105839 2.677554 2.732885 3.261376 4.444550 4.087373 3.020426 3.810813 3.912816 4.082147 4.918643 1.229637 2.038214 2.037983 0.000000 5.325509 6.603588 7.002550 7.849865 6.447825 6.279082 7.075943 5.636763 7.384364 3.800063 3.908824 2.980951 4.624679 5.214712 4.380890 5.269083 6.342716 0.000000 6.329880 7.539949 7.970351 8.790914 7.243358 7.333447 8.167531 6.677871 8.384857 4.842474 4.772771 4.046001 5.685894 6.075088 5.137486 6.127423 7.149451 1.100791 0.000000 4.732105 6.074138 6.688487 7.214390 5.904038 5.695247 6.675221 5.088296 6.654969 3.499172 3.655129 2.509702 4.593255 4.349780 3.501220 4.340109 5.458028 1.105947 1.787966 0.000000 5.546177 6.977799 7.288068 8.176328 7.037318 6.213789 6.926699 5.366212 7.384543 4.001907 4.455078 3.008053 4.574172 5.589967 4.948933 5.466314 6.784907 1.098012 1.784830 1.786883 0.000000 4.464001 5.438700 5.351456 6.829305 5.484622 5.478463 5.806809 5.163658 6.824251 2.602780 2.716568 2.717829 2.789044 5.101915 4.515191 5.466676 6.171116 2.437029 3.301949 2.976475 2.575858 0.000000 4.782277 5.428447 5.094036 6.874084 5.411769 5.895803 6.017509 5.796587 7.256289 2.988840 2.781281 3.543627 2.874727 5.609010 5.041822 6.142900 6.564446 3.401614 4.134609 3.952484 3.618268 1.094999 0.000000 4.781846 5.957905 5.822978 7.261127 6.224720 5.455416 5.706522 4.901917 6.857699 2.981282 3.537918 2.784941 2.859011 5.497944 5.072334 5.653123 6.638204 2.648260 3.544365 3.253510 2.306879 1.094979 1.862854 0.000000 5.323847 5.971859 6.209476 7.375786 5.396951 6.779707 7.404545 6.657322 7.866673 3.805806 2.997664 3.895999 4.635629 5.365768 4.332435 5.943802 6.239015 2.446599 2.677485 2.799090 3.377912 2.436064 2.647346 3.400890 0.000000 6.325963 6.994058 7.286236 8.369928 6.328493 7.761930 8.451044 7.552612 8.807432 4.845466 4.062723 4.754845 5.694780 6.200557 5.091966 6.709401 7.053877 2.675127 2.432330 3.122617 3.651241 3.302543 3.545982 4.135653 1.100752 0.000000 5.549444 5.934896 5.943651 7.392055 5.326546 7.059403 7.494954 7.088989 8.195520 4.016579 3.026103 4.451217 4.597855 5.834241 4.881004 6.545640 6.624884 3.377876 3.650903 3.804670 4.170869 2.576271 2.307212 3.618355 1.098104 1.784745 0.000000 4.726550 5.298423 5.753474 6.634848 4.590132 6.294345 7.054120 6.302599 7.237026 3.502348 2.526670 3.638340 4.601208 4.546249 3.432623 5.213641 5.322262 2.801324 3.130525 2.704941 3.804740 2.973123 3.249417 3.949645 1.106081 1.787616 1.787403 0.000000 5.004619 5.999980 6.172090 7.378364 5.772465 6.173935 6.756570 5.800272 7.384568 3.276558 3.061824 3.051362 3.927620 5.214068 4.365771 5.558616 6.271451 1.444698 2.093305 2.120908 2.091340 1.373521 2.092763 2.092737 1.444397 2.093289 2.091311 2.120547 0.000000 C3H20BN2Si3(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 0 159.11299999999997 AuxInfo=1/0/N:22,18,25,29;14,1,2,6,10/E:(2,3);(3,4,5)/CRV:1.3;1.4,2.4/rA:29nN4SiHHHSiHHHSiHHHB4HHHCHHHC3HHCHHHN/rB:s1;s2;s2;s2;s1;s6;s6;s6;s1;s10;s10;s10;s1;s14;s14;s14;;s18;s18;s18;;s22;s22;;s25;s25;s25;s18s22s25;/rC:1.6332,.0023,-.1641;2.4158,1.5869,.1575;2.3295,1.8549,1.6258;3.8457,1.4984,-.2336;1.6939,2.6535,-.5753;2.6539,-1.4282,.2087;3.1105,-1.3106,1.6276;1.8176,-2.6467,.069;3.8385,-1.4469,-.6819;-.103,-.1196,.5023;-.5823,1.2509,.1989;-.6073,-1.2787,-.2666;.1166,-.3877,1.9535;1.4596,-.04,-1.8262;.3529,.4301,-2.0861;1.548,-1.2195,-2.1623;2.3693,.6408,-2.2962;-3.5374,-1.1098,-.7877;-4.5131,-1.0114,-1.2878;-2.7491,-1.107,-1.5634;-3.5075,-2.0767,-.2683;-2.585,-.2343,1.2776;-2.5887,.5834,2.0058;-2.5955,-1.2513,1.6833;-3.5263,1.2998,-.3641;-4.4991,1.3851,-.872;-3.4949,2.0311,.4546;-2.7332,1.5564,-1.0912;-3.3607,-.0353,.1617; 1.5655863 0.4121812 0.3819427 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= 247 247 247 247 247 MxSgAt= 29 MxSgA2= 29. 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= 247 247 247 247 247 MxSgAt= 29 MxSgA2= 29. 1 0.7538 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 N Si H H H Si H H H Si H H H B H H H C H H H C H H C H H H N 14 29 1 1 1 29 1 1 1 29 1 1 1 11 1 1 1 13 1 1 1 13 1 1 13 1 1 1 14 0.00145 0.00001 0.00001 -0.00000 -0.00000 0.00077 0.00006 -0.00000 -0.00000 0.00184 0.00037 0.00011 0.00013 0.00922 0.00205 -0.00007 -0.00003 0.01289 -0.00044 0.00153 0.00059 0.36478 -0.00076 -0.00056 0.01295 -0.00044 0.00059 0.00154 0.07369 0.46965 -0.00715 0.03473 -0.02209 -0.00022 -0.68717 0.26085 -0.00120 -0.00928 -1.63496 1.67053 0.48274 0.58383 13.22312 9.15593 -0.29539 -0.14389 14.48875 -1.98624 6.83501 2.62731 410.08538 -3.37860 -2.51037 14.56219 -1.98164 2.62958 6.87982 23.80828 0.16758 -0.00255 0.01239 -0.00788 -0.00008 -0.24520 0.09308 -0.00043 -0.00331 -0.58339 0.59609 0.17225 0.20833 4.71834 3.26706 -0.10540 -0.05134 5.16995 -0.70874 2.43890 0.93749 146.32866 -1.20557 -0.89576 5.19615 -0.70710 0.93830 2.45489 8.49539 0.15666 -0.00238 0.01158 -0.00737 -0.00007 -0.22921 0.08701 -0.00040 -0.00310 -0.54536 0.55723 0.16103 0.19475 4.41076 3.05409 -0.09853 -0.04800 4.83293 -0.66254 2.27991 0.87638 136.78976 -1.12698 -0.83737 4.85742 -0.66101 0.87713 2.29486 7.94159 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 0.004873 0.001540 0.001035 0.000793 0.001366 0.000763 0.000797 0.000798 0.000708 0.006381 0.006815 0.003011 0.001558 0.008573 0.012211 0.000784 0.000874 -0.007211 -0.001161 -0.005192 -0.003256 0.433167 -0.023600 -0.021688 -0.006064 -0.000400 -0.002249 -0.005085 0.393672 -0.002754 -0.000610 -0.000455 -0.000389 -0.000059 0.000036 -0.000388 -0.000192 -0.000513 -0.003137 -0.004344 -0.000076 -0.000948 -0.008009 -0.010824 -0.000862 -0.001172 0.011314 -0.000015 0.000215 0.009639 -0.423283 0.039575 0.019062 0.004796 -0.002854 0.006946 -0.003395 -0.251402 -0.002119 -0.000931 -0.000580 -0.000404 -0.001308 -0.000799 -0.000410 -0.000606 -0.000195 -0.003243 -0.002471 -0.002934 -0.000611 -0.000565 -0.001387 0.000078 0.000298 -0.004103 0.001176 0.004977 -0.006382 -0.009884 -0.015975 0.002626 0.001268 0.003254 -0.004697 0.008480 -0.142270 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 -0.000349 0.000766 0.000503 0.000475 0.001872 -0.000804 -0.000219 -0.000848 -0.000235 -0.002725 0.001401 -0.004165 -0.000580 -0.001229 -0.000805 -0.001160 0.000866 0.005834 0.004327 0.000506 0.004703 -0.013344 0.004976 -0.013546 -0.005796 -0.003349 -0.005408 -0.000467 0.004218 -0.002134 -0.000370 0.000124 -0.000464 -0.000472 -0.000644 -0.000112 -0.000384 -0.000616 -0.000175 0.004667 0.000911 0.000938 -0.011506 -0.014710 -0.002601 -0.002690 0.007014 0.004283 0.001594 0.001489 -0.608069 -0.021109 -0.014351 0.009549 0.005551 0.002871 0.002634 -0.302113 0.000078 -0.000056 0.000053 -0.000164 -0.000255 0.000372 0.000020 0.000204 0.000130 0.000547 0.000835 -0.000712 -0.000221 0.000851 0.000549 0.001625 -0.001344 0.014004 0.006143 0.010384 0.003368 0.007823 0.045865 -0.054381 -0.014951 -0.004975 -0.005703 -0.008649 -0.004978 0.1273 0.9449 0.3016 0.2424 -0.3245 0.9143 0.9618 -0.0433 -0.2703 -0.0028 -0.0027 0.0055 -0.107 -0.105 0.212 -0.038 -0.037 0.076 -0.036 -0.035 0.071 1 N 14 0.2286 -0.3138 0.9216 -0.2342 0.9011 0.3649 0.945 0.2992 -0.1325 -0.001 -8.0E-4 0.0018 0.106 0.088 -0.195 0.038 0.031 -0.069 0.036 0.029 -0.065 2 Si 29 -0.2248 0.8533 -0.4705 -0.2015 0.4317 0.8792 0.9533 0.2925 0.0749 -6.0E-4 -6.0E-4 0.0012 -0.329 -0.311 0.64 -0.117 -0.111 0.228 -0.11 -0.104 0.213 3 H 1 0.2806 0.1286 0.9512 -0.3402 0.94 -0.0268 0.8975 0.3161 -0.3075 -6.0E-4 -6.0E-4 0.0011 -0.301 -0.297 0.597 -0.107 -0.106 0.213 -0.1 -0.099 0.199 4 H 1 0.4333 -0.4483 0.7818 -0.38 0.6958 0.6095 0.8172 0.5612 -0.1311 -0.0014 -0.0013 0.0027 -0.759 -0.696 1.455 -0.271 -0.248 0.519 -0.253 -0.232 0.485 5 H 1 0.29 -0.1119 0.9505 0.5206 0.8518 -0.0585 0.8031 -0.5117 -0.3052 -0.001 -5.0E-4 0.0015 0.11 0.051 -0.161 0.039 0.018 -0.058 0.037 0.017 -0.054 6 Si 29 0.179 0.9833 0.0335 0.0827 -0.049 0.9954 0.9804 -0.1754 -0.0901 -4.0E-4 -4.0E-4 8.0E-4 -0.228 -0.224 0.452 -0.081 -0.08 0.161 -0.076 -0.075 0.151 7 H 1 0.3826 0.281 0.8801 0.3667 0.8282 -0.4239 0.848 -0.4849 -0.2138 -7.0E-4 -7.0E-4 0.0014 -0.378 -0.358 0.736 -0.135 -0.128 0.263 -0.126 -0.12 0.246 8 H 1 0.0659 0.9698 -0.2349 0.4725 0.177 0.8634 0.8789 -0.1679 -0.4466 -6.0E-4 -5.0E-4 0.0011 -0.299 -0.27 0.569 -0.107 -0.096 0.203 -0.1 -0.09 0.19 9 H 1 0.2123 0.8496 -0.4828 0.1501 0.4598 0.8752 0.9656 -0.2583 -0.0299 -0.0041 -0.003 0.0071 0.438 0.317 -0.755 0.156 0.113 -0.269 0.146 0.106 -0.252 10 Si 29 0.1445 0.791 -0.5945 -0.3746 0.5998 0.707 0.9158 0.1206 0.383 -0.0047 -0.0042 0.009 -2.516 -2.26 4.776 -0.898 -0.806 1.704 -0.839 -0.754 1.593 11 H 1 0.1451 0.4102 0.9004 0.563 0.7141 -0.4161 0.8136 -0.5673 0.1273 -0.0031 -0.0029 0.0061 -1.66 -1.571 3.232 -0.592 -0.561 1.153 -0.554 -0.524 1.078 12 H 1 0.1771 0.9783 0.1077 -0.3565 -0.0382 0.9335 0.9174 -0.2037 0.342 -0.0011 -0.001 0.002 -0.575 -0.512 1.087 -0.205 -0.183 0.388 -0.192 -0.171 0.363 13 H 1 0.5586 -0.0485 0.828 0.0776 0.997 0.006 0.8258 -0.0609 -0.5606 -0.0084 -0.0081 0.0165 -1.434 -1.387 2.821 -0.512 -0.495 1.007 -0.478 -0.463 0.941 14 B 11 -0.1777 0.9273 -0.3294 0.5092 0.3731 0.7756 0.8421 -0.03 -0.5385 -0.0109 -0.0108 0.0216 -5.797 -5.753 11.549 -2.068 -2.053 4.121 -1.934 -1.919 3.852 15 H 1 0.4543 -0.4559 0.7654 0.5798 0.8036 0.1345 0.6764 -0.3826 -0.6294 -0.0024 -0.0014 0.0039 -1.299 -0.762 2.06 -0.463 -0.272 0.735 -0.433 -0.254 0.687 16 H 1 0.4819 0.4805 0.7327 -0.5334 0.8243 -0.1898 0.6952 0.2993 -0.6535 -0.0024 -0.0014 0.0038 -1.255 -0.759 2.015 -0.448 -0.271 0.719 -0.419 -0.253 0.672 17 H 1 -0.5254 -0.3129 0.7912 0.8023 -0.4919 0.3382 0.2833 0.8125 0.5095 -0.0143 -0.0078 0.0221 -1.919 -1.051 2.97 -0.685 -0.375 1.06 -0.64 -0.351 0.991 18 C 13 -0.2078 0.7888 -0.5785 0.854 -0.142 -0.5004 0.4769 0.5981 0.6441 -0.0057 -0.0044 0.0101 -3.021 -2.343 5.363 -1.078 -0.836 1.914 -1.008 -0.781 1.789 19 H 1 0.2032 0.7565 -0.6216 0.9755 -0.2108 0.0624 0.0839 0.6191 0.7808 -0.0082 -0.0052 0.0134 -4.365 -2.774 7.14 -1.558 -0.99 2.548 -1.456 -0.925 2.382 20 H 1 -0.2039 -0.1372 0.9693 0.9293 -0.3387 0.1475 0.308 0.9309 0.1965 -0.0072 -0.0047 0.0119 -3.827 -2.526 6.352 -1.365 -0.901 2.267 -1.276 -0.842 2.119 21 H 1 0.5715 0.1015 0.8143 -0.0484 0.9948 -0.09 0.8192 -0.012 -0.5734 -0.4356 -0.4233 0.859 -58.46 -56.808 115.268 -20.86 -20.271 41.131 -19.5 -18.949 38.449 22 C 13 0.5498 -0.386 0.7408 0.8324 0.3279 -0.4469 -0.0704 0.8623 0.5015 -0.0555 -0.0103 0.0658 -29.632 -5.499 35.132 -10.574 -1.962 12.536 -9.884 -1.834 11.719 23 H 1 0.5025 0.5667 0.653 0.8645 -0.3199 -0.3877 -0.0108 0.7593 -0.6506 -0.0556 -0.0102 0.0659 -29.672 -5.464 35.136 -10.588 -1.95 12.537 -9.897 -1.822 11.72 24 H 1 -0.5611 0.3978 0.7259 0.7468 0.6215 0.2367 -0.357 0.6749 -0.6458 -0.0143 -0.0079 0.0222 -1.92 -1.055 2.975 -0.685 -0.376 1.062 -0.64 -0.352 0.992 25 C 13 0.1251 0.8975 0.4228 0.8407 0.1305 -0.5256 0.5269 -0.4212 0.7382 -0.0057 -0.0044 0.0101 -3.022 -2.342 5.364 -1.078 -0.836 1.914 -1.008 -0.781 1.789 26 H 1 -0.2241 0.2901 0.9304 0.8905 0.4488 0.0745 -0.3959 0.8452 -0.3589 -0.0072 -0.0047 0.0119 -3.824 -2.526 6.35 -1.364 -0.901 2.266 -1.276 -0.842 2.118 27 H 1 -0.2795 0.8334 0.4767 0.9503 0.3109 0.0136 0.1369 -0.4568 0.879 -0.0082 -0.0052 0.0134 -4.367 -2.774 7.142 -1.558 -0.99 2.548 -1.457 -0.925 2.382 28 H 1 8.67416852e-01 3.24539258e-04 4.44499740e-01 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 7 14 1 1 1 14 1 1 1 14 1 1 1 5 1 1 1 6 1 1 1 6 1 1 6 1 1 1 7 0.000420291 -0.001050540 0.003263401 0.002517010 0.002206048 -0.003873872 -0.000460960 -0.000204468 0.000621322 -0.001175172 -0.000192039 0.000754726 -0.000179175 -0.000458444 0.000462439 0.000550804 0.000025075 -0.002173593 -0.000198482 0.000064752 0.000371754 -0.000058578 -0.000098420 0.000311337 -0.000266535 -0.000194096 0.000701499 -0.000686869 -0.000400661 -0.002544387 0.000140328 0.000004626 0.000406412 0.000076721 0.000038694 0.000257285 0.000129641 0.000070079 0.000388177 -0.001893760 -0.000135866 -0.000914450 0.000502660 0.000090083 -0.000103643 0.000534162 0.000262683 0.000128678 -0.001161531 0.000292281 0.001075456 0.002106470 -0.059314517 0.001150702 -0.012361420 0.004128038 -0.016219039 -0.007634210 0.009915916 0.019678997 0.018861745 0.005840778 -0.004145362 -0.049902121 0.020176720 -0.073229156 -0.005941932 -0.021826469 0.009182575 0.017948337 0.016408104 0.003310699 0.053471403 0.023345599 -0.010984667 -0.011333629 0.005835750 -0.016441257 0.002843995 -0.019950593 -0.000391383 -0.009649452 0.006634124 0.020125502 0.002800258 0.008486764 0.068829848 0.073229156 0.016661567 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) 0.7536 0.7536 0.7537 0.7540 0.7538 0.7538 0.7540 0.7539 0.7539 0.7539 0.7538 0.7538 0.7538 0.7537 0.7537 0.7537 0.7537 0.7537 0.7528 0.7538 0.7534 0.7533 0.7529 0.7529 0.7531 0.7532 0.7529 0.7529 0.7529 0.7529 0.7529 0.7529 0.7529 0.7529 0.7529 0.7529 0.7529 0.7529 0.7529 0.7529 0.7529 0.7529 0.7529 open 1 1 1 -1128.60966627795 -1128.60966668095 -0.000000403005 -1128.60966670880 -0.000000027844 -1128.60966670986 -0.000000001062 -1128.60966670994 -0.000000000082 -1128.60966670996 -0.000000000018 -1128.60966671 6 0.7529 1.122316344612e+03 -4.161827234572e+03 1.163217482036e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572735446 LenY= 1572673996 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. 0.7529 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) 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 N Si H H H Si H H H Si H H H B H H H C H H H C H H C H H H N 14 29 1 1 1 29 1 1 1 29 1 1 1 11 1 1 1 13 1 1 1 13 1 1 13 1 1 1 14 0.04560 -0.00021 0.00002 -0.00003 0.00004 -0.00012 0.00001 0.00003 -0.00003 0.00289 0.00510 0.00514 0.00403 0.00023 0.00000 0.00004 -0.00000 -0.01318 0.00314 0.00815 0.00090 0.14137 -0.00092 -0.00097 -0.01314 0.00307 0.00093 0.00813 0.10975 14.73335 0.18739 0.10535 -0.12087 0.17233 0.10787 0.04244 0.12186 -0.11190 -2.56767 22.78529 22.96696 18.02385 0.32856 0.00781 0.18084 -0.00912 -14.81547 14.02817 36.41056 4.00210 158.92645 -4.12262 -4.33068 -14.76737 13.73460 4.16105 36.34007 35.46130 5.25723 0.06686 0.03759 -0.04313 0.06149 0.03849 0.01514 0.04348 -0.03993 -0.91621 8.13036 8.19518 6.43136 0.11724 0.00279 0.06453 -0.00325 -5.28653 5.00560 12.99219 1.42805 56.70891 -1.47105 -1.54529 -5.26937 4.90085 1.48476 12.96704 12.65347 4.91452 0.06251 0.03514 -0.04032 0.05748 0.03598 0.01416 0.04065 -0.03733 -0.85648 7.60035 7.66095 6.01211 0.10959 0.00261 0.06032 -0.00304 -4.94191 4.67929 12.14525 1.33496 53.01216 -1.37516 -1.44456 -4.92587 4.58137 1.38798 12.12174 11.82862 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 0.027191 0.000154 0.001375 0.001043 0.000822 -0.000124 0.001514 0.001292 0.001004 0.057627 0.004361 0.004137 0.009873 0.000889 0.000408 0.000566 0.000666 -0.007303 -0.000922 -0.004860 -0.004586 0.513860 -0.008731 -0.008800 -0.007394 -0.001037 -0.004640 -0.004871 0.678379 -0.020272 0.001712 -0.000454 -0.000372 0.000153 0.002318 -0.000790 0.000050 -0.000447 -0.035222 0.000906 -0.002770 -0.007631 -0.001960 -0.002059 -0.000948 -0.000893 0.003013 -0.002707 -0.002362 0.008067 -0.314062 0.009118 0.034448 0.012589 0.001879 0.011203 0.002960 -0.420818 -0.006919 -0.001866 -0.000921 -0.000671 -0.000975 -0.002194 -0.000724 -0.001342 -0.000558 -0.022405 -0.005267 -0.001366 -0.002241 0.001071 0.001650 0.000382 0.000226 0.004290 0.003630 0.007222 -0.003481 -0.199798 -0.000387 -0.025647 -0.005195 -0.000842 -0.006563 0.001911 -0.257561 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 0.003002 0.001437 0.001368 0.000565 0.001432 -0.001035 -0.000693 -0.001682 -0.000489 0.003364 0.006817 -0.004717 -0.001198 0.000102 0.000395 -0.000537 0.000361 0.000419 0.004410 -0.000059 0.003659 0.051390 0.006666 -0.002513 -0.001798 -0.006372 -0.004102 0.000371 0.070052 -0.025021 -0.000285 0.000483 -0.000299 -0.000643 -0.000319 0.000455 -0.000446 -0.000488 -0.034292 -0.004661 -0.006381 0.005201 -0.001521 -0.002521 -0.001524 -0.001098 0.004223 0.006632 -0.000715 0.002222 -0.311145 -0.010097 -0.012009 0.003824 0.004673 0.000831 -0.000690 -0.427104 -0.001602 0.001503 0.000335 -0.000036 -0.000647 -0.001675 -0.000147 0.000334 0.000075 -0.001393 -0.004689 0.005705 -0.001013 -0.000156 -0.000713 0.000593 -0.000313 0.014531 0.005858 0.006504 0.006882 -0.019423 0.041190 -0.028484 -0.011550 -0.006584 -0.001577 -0.008080 -0.027534 -0.0298 0.9976 0.0629 0.469 -0.0416 0.8822 0.8827 0.0558 -0.4666 -0.0205 -0.0201 0.0406 -0.789 -0.777 1.566 -0.282 -0.277 0.559 -0.263 -0.259 0.522 1 N 14 0.2921 -0.3964 0.8704 0.8526 -0.3044 -0.4248 0.4333 0.8662 0.2491 -0.0026 -2.0E-4 0.0029 0.281 0.023 -0.304 0.1 0.008 -0.108 0.094 0.008 -0.101 2 Si 29 -0.3885 0.8553 -0.3428 -0.3166 0.2255 0.9214 0.8653 0.4665 0.1832 -0.0012 -0.001 0.0022 -0.646 -0.536 1.182 -0.23 -0.191 0.422 -0.215 -0.179 0.394 3 H 1 0.2467 -0.2886 0.9251 -0.2549 0.9017 0.3492 0.935 0.322 -0.1489 -7.0E-4 -5.0E-4 0.0013 -0.394 -0.291 0.686 -0.141 -0.104 0.245 -0.132 -0.097 0.229 4 H 1 -0.0106 0.4228 0.9062 -0.6638 0.6748 -0.3226 0.7479 0.6049 -0.2735 -0.0013 -9.0E-4 0.0022 -0.677 -0.505 1.182 -0.242 -0.18 0.422 -0.226 -0.168 0.394 5 H 1 0.2315 0.3389 0.9119 0.9353 0.1805 -0.3045 -0.2678 0.9233 -0.2752 -0.0029 -2.0E-4 0.0031 0.307 0.023 -0.331 0.11 0.008 -0.118 0.103 0.008 -0.11 6 Si 29 0.2468 0.9627 0.1111 -0.2085 -0.0592 0.9762 0.9464 -0.2641 0.1862 -0.001 -8.0E-4 0.0018 -0.525 -0.433 0.959 -0.187 -0.155 0.342 -0.175 -0.145 0.32 7 H 1 0.0808 -0.1318 0.988 0.5783 0.8135 0.0613 0.8118 -0.5664 -0.142 -0.0014 -0.0011 0.0025 -0.759 -0.598 1.357 -0.271 -0.213 0.484 -0.253 -0.199 0.453 8 H 1 0.3505 0.3875 0.8526 0.1336 0.8804 -0.455 0.927 -0.2734 -0.2569 -7.0E-4 -6.0E-4 0.0013 -0.386 -0.299 0.685 -0.138 -0.107 0.244 -0.129 -0.1 0.228 9 H 1 0.109 0.9162 0.3856 0.3309 -0.3992 0.855 0.9373 0.0344 -0.3467 -0.0354 -0.035 0.0704 3.756 3.716 -7.472 1.34 1.326 -2.666 1.253 1.239 -2.492 10 Si 29 0.1353 0.3816 0.9144 -0.673 0.7127 -0.1979 0.7272 0.5886 -0.3532 -0.0079 -0.0042 0.0121 -4.222 -2.256 6.479 -1.507 -0.805 2.312 -1.408 -0.753 2.161 11 H 1 0.1039 -0.696 0.7105 0.6887 0.5657 0.4535 0.7176 -0.4422 -0.5382 -0.0079 -0.0039 0.0118 -4.209 -2.102 6.311 -1.502 -0.75 2.252 -1.404 -0.701 2.105 12 H 1 0.0195 0.9868 0.1609 -0.3562 -0.1435 0.9233 0.9342 -0.0753 0.3487 -0.0078 -0.0041 0.0119 -4.173 -2.183 6.355 -1.489 -0.779 2.268 -1.392 -0.728 2.12 13 H 1 -0.0115 0.9989 0.0454 0.7287 -0.0227 0.6845 -0.6847 -0.041 0.7276 -0.002 -5.0E-4 0.0025 -0.337 -0.093 0.43 -0.12 -0.033 0.153 -0.112 -0.031 0.143 14 B 11 0.0731 0.971 0.2278 0.7904 -0.1957 0.5805 -0.6083 -0.1376 0.7817 -0.0022 -0.0015 0.0037 -1.172 -0.822 1.994 -0.418 -0.293 0.712 -0.391 -0.274 0.665 15 H 1 -0.14 0.8725 -0.4681 0.6977 0.4224 0.5786 0.7026 -0.2456 -0.6679 -0.0012 -0.001 0.0022 -0.629 -0.546 1.175 -0.225 -0.195 0.419 -0.21 -0.182 0.392 16 H 1 -0.1147 0.982 0.1503 0.6403 -0.0426 0.7669 0.7595 0.1842 -0.6239 -0.001 -7.0E-4 0.0017 -0.524 -0.359 0.883 -0.187 -0.128 0.315 -0.175 -0.12 0.295 17 H 1 -0.4869 -0.5931 0.6413 0.8639 -0.4353 0.2533 0.1289 0.6773 0.7243 -0.0124 -0.0063 0.0186 -1.658 -0.842 2.5 -0.592 -0.301 0.892 -0.553 -0.281 0.834 18 C 13 -0.431 0.8737 -0.2255 0.7346 0.1947 -0.6499 0.524 0.4457 0.7258 -0.0064 -0.0056 0.012 -3.412 -2.999 6.411 -1.217 -1.07 2.288 -1.138 -1.0 2.138 19 H 1 -0.3035 0.8447 -0.4408 0.9519 0.2898 -0.1001 -0.0432 0.45 0.892 -0.0057 -0.0048 0.0105 -3.059 -2.563 5.622 -1.092 -0.914 2.006 -1.021 -0.855 1.875 20 H 1 -0.3424 -0.3229 0.8824 0.9074 -0.3574 0.2213 0.2439 0.8764 0.4153 -0.0069 -0.0055 0.0123 -3.661 -2.927 6.587 -1.306 -1.044 2.351 -1.221 -0.976 2.197 21 H 1 0.0074 0.9833 0.182 0.355 -0.1728 0.9188 0.9348 0.0579 -0.3503 -0.3173 -0.3164 0.6336 -42.575 -42.454 85.03 -15.192 -15.149 30.341 -14.202 -14.161 28.363 22 C 13 0.3437 -0.6197 0.7056 0.9385 0.253 -0.2349 -0.0329 0.743 0.6685 -0.0415 -0.0044 0.0459 -22.132 -2.351 24.482 -7.897 -0.839 8.736 -7.382 -0.784 8.166 23 H 1 0.3473 0.3394 0.8742 0.9369 -0.1653 -0.3081 0.0399 0.926 -0.3754 -0.0415 -0.0044 0.0459 -22.131 -2.352 24.483 -7.897 -0.839 8.736 -7.382 -0.785 8.167 24 H 1 -0.4941 0.3354 0.8021 0.8601 0.323 0.3948 -0.1267 0.885 -0.4481 -0.0124 -0.0063 0.0187 -1.661 -0.847 2.509 -0.593 -0.302 0.895 -0.554 -0.283 0.837 25 C 13 0.4326 0.741 0.5136 0.7382 0.036 -0.6736 -0.5176 0.6706 -0.5315 -0.0064 -0.0056 0.012 -3.417 -2.994 6.411 -1.219 -1.068 2.288 -1.14 -0.999 2.138 26 H 1 -0.3415 0.0045 0.9399 0.9093 0.2546 0.3292 -0.2378 0.967 -0.091 -0.0069 -0.0055 0.0124 -3.667 -2.928 6.595 -1.308 -1.045 2.353 -1.223 -0.977 2.2 27 H 1 0.2873 0.6454 0.7078 0.9566 -0.2304 -0.1782 0.0481 0.7283 -0.6836 -0.0057 -0.0048 0.0106 -3.06 -2.578 5.638 -1.092 -0.92 2.012 -1.021 -0.86 1.881 28 H 1 PT13821.500S 2025-06-19T13:08:48.000 -66.28922 -66.28587 -66.28556 -14.49830 -14.45542 -10.34586 -10.34507 -10.33320 -6.80154 -5.41614 -5.41585 -5.41551 -3.76560 -3.76531 -3.76503 -3.76331 -3.76302 -3.76300 -3.76271 -3.76268 -3.76212 -1.06790 -0.95432 -0.83306 -0.82644 -0.69738 -0.65588 -0.65317 -0.61451 -0.59701 -0.59370 -0.58337 -0.56887 -0.50616 -0.49837 -0.49459 -0.49017 -0.48658 -0.48078 -0.45259 -0.43707 -0.43643 -0.42492 -0.42339 -0.41619 -0.40549 -0.39353 -0.34631 -0.34583 -0.24876 0.07482 0.10568 0.11030 0.11501 0.12647 0.14205 0.14574 0.15477 0.15849 0.16728 0.16887 0.17177 0.18006 0.18286 0.19038 0.20206 0.20536 0.21265 0.21735 0.22656 0.24322 0.25403 0.26175 0.27454 0.30873 0.31629 0.32350 0.33676 0.36334 0.37035 0.38444 0.39692 0.40990 0.41963 0.43178 0.43747 0.44661 0.44902 0.45039 0.46243 0.47443 0.48004 0.50712 0.51033 0.52205 0.52679 0.53154 0.55474 0.57100 0.58530 0.59517 0.60308 0.61569 0.63742 0.64808 0.66335 0.66568 0.67438 0.68162 0.69707 0.71035 0.71662 0.71780 0.71914 0.72508 0.72798 0.73510 0.74514 0.74820 0.75424 0.76532 0.77943 0.79399 0.80120 0.81017 0.82558 0.83143 0.87243 0.88062 0.88827 0.93880 0.94980 0.96832 0.98778 0.99612 1.00370 1.01287 1.01671 1.02555 1.08280 1.09813 1.12955 1.14091 1.17351 1.17856 1.19201 1.22868 1.23363 1.31620 1.36149 1.39239 1.40439 1.45477 1.47113 1.47732 1.48458 1.53181 1.54144 1.54583 1.56430 1.56604 1.59296 1.59713 1.60724 1.62026 1.63685 1.65911 1.66845 1.68609 1.71213 1.72161 1.74678 1.75011 1.75955 1.76301 1.77797 1.80702 1.81355 1.82916 1.84286 1.84759 1.85512 1.85701 1.86513 1.87682 1.88544 1.89055 1.90055 1.91679 1.92761 1.98430 2.01037 2.01235 2.04500 2.04881 2.06754 2.07099 2.07513 2.07822 2.08297 2.20773 2.21150 2.21524 2.22122 2.24244 2.28049 2.28479 2.29181 2.29992 2.31964 2.33194 2.34244 2.34570 2.36883 2.46347 2.49066 2.50225 2.51127 2.51692 2.58485 2.65251 2.65773 2.67804 2.68490 2.71292 2.72480 2.74439 2.76163 2.80780 2.86317 2.92711 2.93433 2.97762 2.98432 3.10715 3.11069 3.26739 3.31731 -66.28914 -66.28587 -66.28555 -14.49171 -14.45486 -10.34615 -10.34537 -10.32638 -6.80154 -5.41614 -5.41585 -5.41547 -3.76538 -3.76530 -3.76502 -3.76330 -3.76302 -3.76300 -3.76270 -3.76267 -3.76211 -1.05345 -0.95318 -0.83128 -0.81466 -0.68428 -0.65567 -0.64975 -0.61279 -0.59180 -0.58321 -0.57878 -0.55973 -0.50378 -0.49476 -0.49333 -0.48482 -0.48343 -0.47661 -0.45126 -0.43596 -0.43506 -0.42268 -0.41887 -0.41495 -0.39443 -0.36254 -0.34621 -0.34549 0.00180 0.08175 0.10742 0.11088 0.11557 0.12693 0.14232 0.14781 0.15502 0.15876 0.16908 0.16974 0.17649 0.18204 0.18468 0.19137 0.20365 0.21033 0.22056 0.22271 0.23090 0.24648 0.25531 0.26235 0.27604 0.30946 0.31963 0.32803 0.33931 0.36410 0.37077 0.38589 0.39741 0.41153 0.42103 0.43191 0.43780 0.44670 0.44914 0.45474 0.46325 0.47520 0.48214 0.50921 0.51108 0.52347 0.52889 0.53636 0.55571 0.57224 0.59455 0.60114 0.60871 0.61964 0.63769 0.64871 0.66414 0.66781 0.67594 0.68256 0.69830 0.71176 0.71975 0.72066 0.72162 0.72605 0.73110 0.73688 0.74624 0.74932 0.75560 0.76652 0.78239 0.79776 0.80478 0.81170 0.82661 0.83244 0.87640 0.88546 0.89902 0.94098 0.95131 0.97240 0.99289 0.99970 1.00562 1.01535 1.01708 1.02589 1.08613 1.10035 1.13316 1.14237 1.18068 1.18555 1.19917 1.22964 1.23718 1.32887 1.36441 1.39294 1.40499 1.45561 1.47142 1.47802 1.48583 1.53375 1.54252 1.54835 1.56472 1.56742 1.59432 1.59837 1.60771 1.62546 1.63744 1.65962 1.67271 1.68760 1.71303 1.72547 1.75107 1.75711 1.76159 1.76550 1.77963 1.80832 1.81403 1.83005 1.84441 1.85533 1.85641 1.86271 1.86570 1.87912 1.88781 1.89279 1.90390 1.91898 1.92964 1.98498 2.01099 2.01785 2.04586 2.05337 2.06898 2.07408 2.07788 2.07936 2.08492 2.21334 2.22130 2.22348 2.23043 2.24855 2.28060 2.28495 2.29220 2.29998 2.32239 2.33807 2.34725 2.35475 2.37482 2.46679 2.49140 2.50705 2.51225 2.51787 2.58505 2.65303 2.65803 2.68614 2.69487 2.71433 2.72687 2.74529 2.77313 2.80861 2.87215 2.93016 2.93864 2.97926 2.99807 3.11405 3.11771 3.27514 3.32467 2-A. -1.60447335e+00 7.17757332e-02 1.04601909e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -4.0782 0.1824 2.6587 4.8717 -74.8139 -82.0506 -95.6239 -0.3876 7.6402 0.0759 9.3489 2.1122 -11.4611 -0.3876 7.6402 0.0759 -72.8724 0.8979 25.0463 -16.6021 1.4584 -3.6732 -33.1201 0.4048 6.5333 -1.8169 -3157.1621 -758.4556 -591.8376 -17.5192 108.0637 4.1366 -2.5309 40.0618 1.9292 -614.7383 -663.1550 -226.5998 4.9314 7.7585 -0.7424 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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)|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) 0 2-A -1128.6096667 0.752905 0. 0.750006 8.819E-9 5.658E-6 -6.3197557,-0.5123509,6.8321065,4.2437789,5.4877212,-1.5751227 C01 [X(C3H20B1N2Si3)] 0.848828 -0.6600826 -1.5866393 0.000019164 -0.000003244 0.000008035 -0.000001076 0.000010318 -0.000002423 -0.000001189 -0.000001378 -0.000001534 -0.000001282 -0.000001236 0.000001120 -0.000001457 -0.000002283 0.000003094 -0.000020922 0.000001319 -0.000007066 0.000001784 0.000001127 0.000000877 -0.000000000 0.000001591 0.000001738 0.000003484 -0.000002167 0.000003402 -0.000009136 -0.000009988 -0.000019670 0.000003351 0.000000982 0.000006201 0.000006950 0.000004940 0.000001773 0.000004211 -0.000002600 -0.000000741 -0.000002475 0.000000599 0.000009045 0.000000021 0.000001937 -0.000001377 -0.000000281 0.000000498 -0.000002296 -0.000001004 0.000000946 -0.000001088 0.000002008 0.000000621 -0.000001344 0.000002203 0.000002365 0.000001875 0.000001324 -0.000000986 -0.000000444 -0.000002902 -0.000002351 -0.000002130 0.000003451 -0.000001628 -0.000006873 0.000001511 0.000013397 -0.000001032 -0.000011378 -0.000011943 0.000001014 0.000000703 -0.000003703 -0.000002877 0.000000092 -0.000001986 0.000001282 -0.000003206 0.000005291 -0.000000414 0.000004204 -0.000000699 -0.000002191 0.000001846 0.000000259 0.000014043 159.11299999999997 AuxInfo=1/0/N:22,18,25,29;14,1,2,6,10/E:(2,3);(3,4,5)/CRV:1.3;1.4,2.4/rA:29nN4SiHHHSiHHHSiHHHB4HHHCHHHC3HHCHHHN/rB:s1;s2;s2;s2;s1;s6;s6;s6;s1;s10;s10;s10;s1;s14;s14;s14;;s18;s18;s18;;s22;s22;;s25;s25;s25;s18s22s25;/rC:1.7782,-.2123,-.3391;1.4474,-1.7006,.6108;2.6663,-2.5645,.5548;1.1927,-1.3162,2.0224;.3063,-2.4291,.0082;2.7568,1.0248,.5208;4.0175,.3709,.9883;3.0985,2.1012,-.4426;2.0083,1.5305,1.6959;2.3567,-.5519,-2.0779;1.4905,-1.7102,-2.4061;2.117,.7665,-2.7052;3.7964,-.8942,-1.8878;.2779,.5031,-.5173;-.2029,.0779,-1.5666;.4664,1.7175,-.5573;-.3912,.1743,.4606;1.4423,.5425,-5.6002;.9034,.5662,-6.5597;.7716,.9417,-4.8166;2.3172,1.2018,-5.6749;2.9978,-1.017,-4.5572;3.3196,-2.0601,-4.4719;3.7883,-.269,-4.6776;.827,-1.8097,-5.3278;.2866,-1.7706,-6.2859;1.2685,-2.8091,-5.2169;.0952,-1.6595,-4.512;1.8665,-.8071,-5.3075; Gaussian 16 GINC-NODO02 BPR coments ES64L-G16RevC.02 81 C1[X(C3H20BN2Si3)] 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 0 159.11299999999997 AuxInfo=1/0/N:22,18,25,29;14,1,2,6,10/E:(2,3);(3,4,5)/CRV:1.3;1.4,2.4/rA:29nN4SiHHHSiHHHSiHHHB4HHHCHHHC3HHCHHHN/rB:s1;s2;s2;s2;s1;s6;s6;s6;s1;s10;s10;s10;s1;s14;s14;s14;;s18;s18;s18;;s22;s22;;s25;s25;s25;s18s22s25;/rC:1.7782,-.2123,-.3391;1.4474,-1.7006,.6108;2.6663,-2.5645,.5548;1.1927,-1.3162,2.0224;.3063,-2.4291,.0082;2.7568,1.0248,.5208;4.0175,.3709,.9883;3.0985,2.1012,-.4426;2.0083,1.5305,1.6959;2.3567,-.5519,-2.0779;1.4905,-1.7102,-2.4061;2.117,.7665,-2.7052;3.7964,-.8942,-1.8878;.2779,.5031,-.5173;-.2029,.0779,-1.5666;.4664,1.7175,-.5573;-.3912,.1743,.4606;1.4423,.5425,-5.6002;.9034,.5662,-6.5597;.7716,.9417,-4.8166;2.3172,1.2018,-5.6749;2.9978,-1.017,-4.5572;3.3196,-2.0601,-4.4719;3.7883,-.269,-4.6776;.827,-1.8097,-5.3278;.2866,-1.7706,-6.2859;1.2685,-2.8091,-5.2169;.0952,-1.6595,-4.512;1.8665,-.8071,-5.3075; 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 14 28 1 1 1 28 1 1 1 28 1 1 1 11 1 1 1 12 1 1 1 12 1 1 12 1 1 1 14 14.0030740 27.9769284 1.0078250 1.0078250 1.0078250 27.9769284 1.0078250 1.0078250 1.0078250 27.9769284 1.0078250 1.0078250 1.0078250 11.0093053 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 14.0030740 2 0 1 1 1 0 1 1 1 0 1 1 1 3 1 1 1 0 1 1 1 0 1 1 0 1 1 1 2 4.5500000 12.2500000 1.0000000 1.0000000 1.0000000 12.2500000 1.0000000 1.0000000 1.0000000 12.2500000 1.0000000 1.0000000 1.0000000 2.7500000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 4.5500000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "NSiH3_BH3_p_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 1 1 1 1 2 2 2 6 6 6 10 10 10 14 14 14 15 18 18 18 18 22 22 22 25 25 25 25 2 6 10 14 3 4 5 7 8 9 11 12 13 15 16 17 22 19 20 21 29 23 24 29 26 27 28 29 1.7964 1.7965 1.8637 1.6717 1.4951 1.485 1.4818 1.4952 1.4844 1.4821 1.4832 1.4796 1.492 1.2301 1.2297 1.2296 4.5152 1.1008 1.1059 1.098 1.4447 1.095 1.095 1.3735 1.1008 1.0981 1.1061 1.4444 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 2 2 2 6 6 10 1 1 1 3 3 4 1 1 1 7 7 8 1 1 1 11 11 12 1 1 1 15 15 16 19 19 19 20 20 21 15 15 15 23 23 24 26 26 26 27 27 28 18 18 22 1 1 1 1 1 1 2 2 2 2 2 2 6 6 6 6 6 6 10 10 10 10 10 10 14 14 14 14 14 14 18 18 18 18 18 18 22 22 22 22 22 22 25 25 25 25 25 25 29 29 29 6 10 14 10 14 14 3 4 5 4 5 5 7 8 9 8 9 9 11 12 13 12 13 13 15 16 17 16 17 17 20 21 29 21 29 29 23 24 29 24 29 29 27 28 29 28 29 29 22 25 25 114.6903 113.5484 104.2164 113.7666 104.1952 104.9019 107.9881 108.6476 109.5182 108.9649 109.1778 112.4422 107.9284 108.3027 109.8419 109.019 109.0974 112.5414 99.643 100.5376 102.8566 120.4893 114.3676 114.509 107.0872 106.7683 106.8104 111.9337 111.9163 111.927 108.2367 108.5302 109.908 108.3401 111.8245 109.9199 112.8135 114.7685 74.9842 116.5598 115.4809 115.48 108.5188 108.1988 109.9301 108.3699 109.933 111.808 119.6851 115.7391 119.6281 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 A52 A53 14 14 15 15 22 22 5 5 -1 -2 168.4126 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 247.9179 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 6 6 6 10 10 10 14 14 14 2 2 2 10 10 10 14 14 14 2 2 2 6 6 6 14 14 14 2 2 2 6 6 6 10 10 10 1 1 1 16 16 16 17 17 17 19 19 20 20 21 21 15 15 23 23 24 24 26 26 27 27 28 28 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14 14 14 14 14 14 14 14 14 18 18 18 18 18 18 22 22 22 22 22 22 25 25 25 25 25 25 2 2 2 2 2 2 2 2 2 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 14 14 14 14 14 14 14 14 14 22 22 22 22 22 22 22 22 22 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 29 3 4 5 3 4 5 3 4 5 7 8 9 7 8 9 7 8 9 11 12 13 11 12 13 11 12 13 15 16 17 15 16 17 15 16 17 23 24 29 23 24 29 23 24 29 22 25 22 25 22 25 18 25 18 25 18 25 18 22 18 22 18 22 -79.5149 38.5319 161.6995 53.6596 171.7063 -65.1261 167.2253 -74.7279 48.4397 54.587 172.4773 -64.2503 -78.4853 39.4049 162.6773 167.8594 -74.2504 49.022 38.7831 162.4995 -79.1243 172.3972 -63.8863 54.4898 -74.3705 49.346 167.7222 -91.2699 148.6799 28.7823 148.1618 28.1115 -91.786 28.3279 -91.7223 148.3801 52.362 -75.6324 168.7308 155.5415 27.5471 -88.0897 -18.8571 -146.8515 97.5117 150.937 -54.0296 -88.8272 66.2062 31.547 -173.4196 78.1584 -75.9035 -173.3685 32.5696 -32.4922 173.4459 53.662 -151.2896 173.0598 -31.8917 -66.5304 88.5181 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. 0.00038 0.00150 0.00209 0.00220 0.00279 0.00479 0.00495 0.00567 0.00728 0.00946 0.01303 0.01662 0.01799 0.02619 0.02764 0.03134 0.03286 0.03520 0.03591 0.03813 0.04105 0.04207 0.04396 0.04519 0.04889 0.05348 0.05963 0.05994 0.06105 0.06127 0.06189 0.07374 0.08381 0.08528 0.08800 0.10575 0.10952 0.11438 0.12115 0.12891 0.12910 0.13091 0.13504 0.14266 0.14427 0.15292 0.15523 0.16471 0.17004 0.17327 0.17535 0.18651 0.18705 0.18864 0.18877 0.18969 0.19050 0.19275 0.19433 0.19538 0.20800 0.20882 0.21184 0.21464 0.21866 0.23466 0.24730 0.30622 0.32693 0.32835 0.34177 0.34235 0.35085 0.35155 0.35671 0.36023 0.39309 0.39545 0.49871 0.61718 1.05805 Angle between quadratic step and forces= 71.16 degrees. 1 2 0.00051252 0.00000016 0.00000010 0.00000001 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 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 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 3.39466 3.39481 3.52183 3.15897 2.82524 2.80631 2.80027 2.82552 2.80518 2.80085 2.80288 2.79605 2.81945 2.32456 2.32374 2.32368 8.53247 2.08019 2.08994 2.07494 2.73008 2.06925 2.06921 2.59558 2.08012 2.07512 2.09019 2.72951 2.00172 1.98179 1.81892 1.98560 1.81855 1.83088 1.88475 1.89626 1.91145 1.90180 1.90551 1.96249 1.88371 1.89024 1.91710 1.90274 1.90411 1.96422 1.73910 1.75471 1.79519 2.10293 1.99609 1.99856 1.86902 1.86346 1.86419 1.95361 1.95331 1.95349 1.88909 1.89421 1.91826 1.89089 1.95171 1.91846 1.96897 2.00309 1.30872 2.03435 2.01552 2.01551 1.89401 1.88843 1.91864 1.89141 1.91869 1.95142 2.08890 2.02003 2.08790 2.93935 4.32698 -1.38780 0.67251 2.82219 0.93654 2.99684 -1.13666 2.91863 -1.30425 0.84543 0.95272 3.01030 -1.12138 -1.36983 0.68775 2.83926 2.92970 -1.29591 0.85560 0.67689 2.83615 -1.38098 3.00890 -1.11503 0.95103 -1.29801 0.86125 2.92730 -1.59296 2.59495 0.50235 2.58591 0.49064 -1.60197 0.49442 -1.60086 2.58972 0.91389 -1.32003 2.94491 2.71471 0.48079 -1.53746 -0.32912 -2.56304 1.70190 2.63435 -0.94299 -1.55033 1.15552 0.55060 -3.02674 1.36412 -1.32477 -3.02585 0.56845 -0.56710 3.02720 0.93658 -2.64050 3.02046 -0.55662 -1.16117 1.54493 -0.00000 -0.00001 0.00001 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 -0.00001 -0.00002 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 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 -0.00001 -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 0.00000 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 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -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 0.00001 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 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 -0.00005 0.00012 0.00005 0.00001 0.00000 0.00001 0.00003 -0.00002 0.00001 -0.00002 0.00003 0.00002 -0.00000 0.00000 -0.00001 -0.00121 -0.00001 -0.00001 -0.00001 -0.00000 -0.00003 -0.00004 -0.00003 -0.00000 -0.00002 -0.00002 -0.00001 0.00005 0.00001 -0.00008 0.00020 -0.00027 0.00002 -0.00000 0.00005 0.00007 0.00001 -0.00006 -0.00006 -0.00001 0.00012 0.00001 -0.00005 -0.00011 0.00004 -0.00014 -0.00017 0.00003 0.00028 -0.00003 -0.00007 0.00004 0.00000 0.00003 -0.00006 0.00001 -0.00002 0.00001 -0.00002 0.00002 0.00001 -0.00001 -0.00000 0.00051 -0.00024 -0.00028 -0.00005 0.00004 -0.00002 -0.00000 0.00001 0.00002 -0.00001 -0.00000 -0.00001 0.00000 0.00004 0.00004 -0.00027 -0.00024 -0.00038 -0.00034 -0.00034 -0.00002 0.00002 0.00002 -0.00004 0.00001 0.00000 0.00070 0.00069 0.00082 0.00042 0.00042 0.00055 0.00047 0.00046 0.00059 0.00031 0.00050 0.00038 0.00060 0.00079 0.00067 0.00038 0.00058 0.00046 -0.00042 -0.00038 -0.00037 -0.00033 -0.00029 -0.00028 -0.00044 -0.00039 -0.00038 -0.00013 -0.00024 -0.00014 -0.00030 -0.00040 -0.00031 -0.00064 -0.00075 -0.00065 -0.00003 0.00020 -0.00001 0.00022 -0.00001 0.00022 -0.00038 -0.00062 0.00006 -0.00017 -0.00001 -0.00024 -0.00003 0.00018 -0.00003 0.00019 -0.00005 0.00017 -0.00003 -0.00005 0.00012 0.00005 0.00001 0.00000 0.00001 0.00003 -0.00002 0.00001 -0.00002 0.00003 0.00002 -0.00000 0.00000 -0.00001 -0.00121 -0.00001 -0.00001 -0.00001 -0.00000 -0.00003 -0.00004 -0.00003 -0.00000 -0.00002 -0.00002 -0.00001 0.00005 0.00001 -0.00008 0.00020 -0.00027 0.00002 -0.00000 0.00005 0.00007 0.00001 -0.00006 -0.00006 -0.00001 0.00012 0.00001 -0.00005 -0.00011 0.00004 -0.00014 -0.00017 0.00003 0.00028 -0.00003 -0.00007 0.00004 0.00000 0.00003 -0.00006 0.00001 -0.00002 0.00001 -0.00002 0.00002 0.00001 -0.00001 -0.00000 0.00051 -0.00024 -0.00028 -0.00005 0.00004 -0.00002 -0.00000 0.00001 0.00002 -0.00001 -0.00000 -0.00001 0.00000 0.00004 0.00004 -0.00027 -0.00024 -0.00038 -0.00034 -0.00034 -0.00002 0.00002 0.00002 -0.00004 0.00001 0.00000 0.00070 0.00069 0.00082 0.00042 0.00042 0.00055 0.00047 0.00046 0.00059 0.00031 0.00050 0.00038 0.00060 0.00079 0.00067 0.00038 0.00058 0.00046 -0.00042 -0.00038 -0.00037 -0.00033 -0.00029 -0.00028 -0.00044 -0.00039 -0.00038 -0.00013 -0.00024 -0.00014 -0.00030 -0.00040 -0.00031 -0.00064 -0.00075 -0.00065 -0.00003 0.00020 -0.00001 0.00022 -0.00001 0.00022 -0.00038 -0.00062 0.00006 -0.00017 -0.00001 -0.00024 -0.00003 0.00018 -0.00003 0.00019 -0.00005 0.00017 3.39463 3.39475 3.52195 3.15902 2.82524 2.80631 2.80028 2.82555 2.80516 2.80086 2.80286 2.79608 2.81947 2.32456 2.32374 2.32367 8.53127 2.08018 2.08993 2.07493 2.73008 2.06922 2.06917 2.59555 2.08012 2.07510 2.09017 2.72951 2.00178 1.98180 1.81884 1.98580 1.81828 1.83090 1.88475 1.89631 1.91152 1.90181 1.90545 1.96242 1.88370 1.89036 1.91711 1.90269 1.90400 1.96426 1.73895 1.75454 1.79522 2.10322 1.99606 1.99849 1.86907 1.86346 1.86422 1.95355 1.95332 1.95347 1.88909 1.89419 1.91827 1.89090 1.95170 1.91846 1.96947 2.00285 1.30844 2.03430 2.01556 2.01549 1.89401 1.88843 1.91866 1.89140 1.91869 1.95140 2.08890 2.02007 2.08795 2.93909 4.32674 -1.38818 0.67217 2.82185 0.93652 2.99686 -1.13665 2.91860 -1.30424 0.84543 0.95342 3.01099 -1.12056 -1.36941 0.68817 2.83980 2.93017 -1.29545 0.85619 0.67720 2.83666 -1.38060 3.00950 -1.11423 0.95170 -1.29763 0.86183 2.92776 -1.59338 2.59458 0.50198 2.58558 0.49035 -1.60225 0.49398 -1.60125 2.58934 0.91376 -1.32027 2.94477 2.71441 0.48038 -1.53776 -0.32976 -2.56379 1.70125 2.63432 -0.94279 -1.55034 1.15573 0.55059 -3.02653 1.36374 -1.32538 -3.02579 0.56827 -0.56710 3.02696 0.93654 -2.64032 3.02044 -0.55642 -1.16122 1.54510 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000016 0.000004 0.002424 0.000513 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -2.533884e-08 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 247 A 238 A 238 401 247 50 49 747.7057944790 29 29 29 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 -0.0220532649 0.000000 1.796378 0.000000 2.668507 1.495051 0.000000 2.671753 1.485034 2.425610 0.000000 2.683572 1.481838 2.426222 2.466033 0.000000 1.796454 3.024936 3.590596 3.190767 4.265753 0.000000 2.667689 3.322556 3.260451 3.448962 4.751186 1.495202 0.000000 2.665652 4.276588 4.790644 4.624536 5.340667 1.484437 2.426065 0.000000 2.689147 3.454328 4.301682 2.979186 4.628581 1.482145 2.425385 2.467219 0.000000 1.863671 3.061918 3.328305 4.330282 3.475604 3.065792 3.607087 3.203601 4.324251 0.000000 2.568908 3.017244 3.298437 4.455997 2.783519 4.201288 4.715858 4.579086 5.253314 1.483222 0.000000 2.582845 4.186979 4.693122 5.248057 4.566491 3.298996 4.172606 2.804328 4.468245 1.479604 2.572185 0.000000 2.633766 3.522983 3.167617 4.716717 4.258139 3.250394 3.149829 3.398258 4.681867 1.491988 2.500412 2.499360 0.000000 1.671652 2.737945 4.032841 3.255200 2.979007 2.737611 4.033487 3.242724 2.991317 2.805360 3.152278 2.870306 4.026289 0.000000 2.348612 3.259993 4.440170 4.095378 3.004023 3.743512 4.942253 4.031968 4.200449 2.685145 2.601864 2.674433 4.128345 1.230106 0.000000 2.343629 3.743061 4.940885 4.047942 4.188084 2.624498 4.100341 2.662364 2.736660 3.322008 4.026960 2.870919 4.436282 1.229672 2.038452 0.000000 2.344220 2.630217 4.105839 2.677554 2.732885 3.261376 4.444550 4.087373 3.020426 3.810813 3.912816 4.082147 4.918643 1.229637 2.038214 2.037983 0.000000 5.325509 6.603588 7.002550 7.849865 6.447825 6.279082 7.075943 5.636763 7.384364 3.800063 3.908824 2.980951 4.624679 5.214712 4.380890 5.269083 6.342716 0.000000 6.329880 7.539949 7.970351 8.790914 7.243358 7.333447 8.167531 6.677871 8.384857 4.842474 4.772771 4.046001 5.685894 6.075088 5.137486 6.127423 7.149451 1.100791 0.000000 4.732105 6.074138 6.688487 7.214390 5.904038 5.695247 6.675221 5.088296 6.654969 3.499172 3.655129 2.509702 4.593255 4.349780 3.501220 4.340109 5.458028 1.105947 1.787966 0.000000 5.546177 6.977799 7.288068 8.176328 7.037318 6.213789 6.926699 5.366212 7.384543 4.001907 4.455078 3.008053 4.574172 5.589967 4.948933 5.466314 6.784907 1.098012 1.784830 1.786883 0.000000 4.464001 5.438700 5.351456 6.829305 5.484622 5.478463 5.806809 5.163658 6.824251 2.602780 2.716568 2.717829 2.789044 5.101915 4.515191 5.466676 6.171116 2.437029 3.301949 2.976475 2.575858 0.000000 4.782277 5.428447 5.094036 6.874084 5.411769 5.895803 6.017509 5.796587 7.256289 2.988840 2.781281 3.543627 2.874727 5.609010 5.041822 6.142900 6.564446 3.401614 4.134609 3.952484 3.618268 1.094999 0.000000 4.781846 5.957905 5.822978 7.261127 6.224720 5.455416 5.706522 4.901917 6.857699 2.981282 3.537918 2.784941 2.859011 5.497944 5.072334 5.653123 6.638204 2.648260 3.544365 3.253510 2.306879 1.094979 1.862854 0.000000 5.323847 5.971859 6.209476 7.375786 5.396951 6.779707 7.404545 6.657322 7.866673 3.805806 2.997664 3.895999 4.635629 5.365768 4.332435 5.943802 6.239015 2.446599 2.677485 2.799090 3.377912 2.436064 2.647346 3.400890 0.000000 6.325963 6.994058 7.286236 8.369928 6.328493 7.761930 8.451044 7.552612 8.807432 4.845466 4.062723 4.754845 5.694780 6.200557 5.091966 6.709401 7.053877 2.675127 2.432330 3.122617 3.651241 3.302543 3.545982 4.135653 1.100752 0.000000 5.549444 5.934896 5.943651 7.392055 5.326546 7.059403 7.494954 7.088989 8.195520 4.016579 3.026103 4.451217 4.597855 5.834241 4.881004 6.545640 6.624884 3.377876 3.650903 3.804670 4.170869 2.576271 2.307212 3.618355 1.098104 1.784745 0.000000 4.726550 5.298423 5.753474 6.634848 4.590132 6.294345 7.054120 6.302599 7.237026 3.502348 2.526670 3.638340 4.601208 4.546249 3.432623 5.213641 5.322262 2.801324 3.130525 2.704941 3.804740 2.973123 3.249417 3.949645 1.106081 1.787616 1.787403 0.000000 5.004619 5.999980 6.172090 7.378364 5.772465 6.173935 6.756570 5.800272 7.384568 3.276558 3.061824 3.051362 3.927620 5.214068 4.365771 5.558616 6.271451 1.444698 2.093305 2.120908 2.091340 1.373521 2.092763 2.092737 1.444397 2.093289 2.091311 2.120547 0.000000 C3H20BN2Si3(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 0 159.11299999999997 AuxInfo=1/0/N:22,18,25,29;14,1,2,6,10/E:(2,3);(3,4,5)/CRV:1.3;1.4,2.4/rA:29nN4SiHHHSiHHHSiHHHB4HHHCHHHC3HHCHHHN/rB:s1;s2;s2;s2;s1;s6;s6;s6;s1;s10;s10;s10;s1;s14;s14;s14;;s18;s18;s18;;s22;s22;;s25;s25;s25;s18s22s25;/rC:1.6332,.0023,-.1641;2.4158,1.5869,.1575;2.3295,1.8549,1.6258;3.8457,1.4984,-.2336;1.6939,2.6535,-.5753;2.6539,-1.4282,.2087;3.1105,-1.3106,1.6276;1.8176,-2.6467,.069;3.8385,-1.4469,-.6819;-.103,-.1196,.5023;-.5823,1.2509,.1989;-.6073,-1.2787,-.2666;.1166,-.3877,1.9535;1.4596,-.04,-1.8262;.3529,.4301,-2.0861;1.548,-1.2195,-2.1623;2.3693,.6408,-2.2962;-3.5374,-1.1098,-.7877;-4.5131,-1.0114,-1.2878;-2.7491,-1.107,-1.5634;-3.5075,-2.0767,-.2683;-2.585,-.2343,1.2776;-2.5887,.5834,2.0058;-2.5955,-1.2513,1.6833;-3.5263,1.2998,-.3641;-4.4991,1.3851,-.872;-3.4949,2.0311,.4546;-2.7332,1.5564,-1.0912;-3.3607,-.0353,.1617; 1.5655863 0.4121812 0.3819427 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= 247 247 247 247 247 MxSgAt= 29 MxSgA2= 29. 1 open 1 1 1 -1128.60966670995 -1128.60966671 1 0.7529 1.122316340310e+03 -4.161827244045e+03 1.163217495810e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572735446 LenY= 1572673996 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. 0.7529 Using compressed storage, NAtomX= 29. Will process 30 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111111 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. 8720 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1572864000 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= 87 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= 87 NMatS0= 87 NMatT0= 0 NMatD0= 87 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 90 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 87 vectors produced by pass 0 Test12= 2.07D-14 1.11D-09 XBig12= 1.25D+02 3.48D+00. AX will form 87 AO Fock derivatives at one time. 87 vectors produced by pass 1 Test12= 2.07D-14 1.11D-09 XBig12= 7.12D+00 6.39D-01. 87 vectors produced by pass 2 Test12= 2.07D-14 1.11D-09 XBig12= 2.78D-01 9.55D-02. 87 vectors produced by pass 3 Test12= 2.07D-14 1.11D-09 XBig12= 4.61D-03 9.20D-03. 87 vectors produced by pass 4 Test12= 2.07D-14 1.11D-09 XBig12= 5.66D-05 8.67D-04. 87 vectors produced by pass 5 Test12= 2.07D-14 1.11D-09 XBig12= 5.83D-07 7.98D-05. 87 vectors produced by pass 6 Test12= 2.07D-14 1.11D-09 XBig12= 4.92D-09 9.22D-06. 29 vectors produced by pass 7 Test12= 2.07D-14 1.11D-09 XBig12= 4.03D-11 7.00D-07. 3 vectors produced by pass 8 Test12= 2.07D-14 1.11D-09 XBig12= 3.24D-13 4.49D-08. 3 vectors produced by pass 9 Test12= 2.07D-14 1.11D-09 XBig12= 3.59D-15 6.71D-09. InvSVY: IOpt=1 It= 1 EMax= 3.55D-15 Solved reduced A of dimension 644 with 90 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 141.68 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 167.086 -1.145 127.553 6.357 -0.627 130.407 148.152 -0.655 136.958 4.849 -0.691 142.854 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 N Si H H H Si H H H Si H H H B H H H C H H H C H H C H H H N 14 29 1 1 1 29 1 1 1 29 1 1 1 11 1 1 1 13 1 1 1 13 1 1 13 1 1 1 14 0.04560 -0.00021 0.00002 -0.00003 0.00004 -0.00012 0.00001 0.00003 -0.00003 0.00289 0.00510 0.00514 0.00403 0.00023 0.00000 0.00004 -0.00000 -0.01318 0.00314 0.00815 0.00090 0.14137 -0.00092 -0.00097 -0.01314 0.00307 0.00093 0.00813 0.10975 14.73335 0.18739 0.10535 -0.12087 0.17233 0.10787 0.04244 0.12186 -0.11191 -2.56763 22.78537 22.96687 18.02387 0.32856 0.00781 0.18084 -0.00912 -14.81556 14.02828 36.41058 4.00212 158.92616 -4.12285 -4.33040 -14.76739 13.73464 4.16103 36.34010 35.46141 5.25722 0.06686 0.03759 -0.04313 0.06149 0.03849 0.01514 0.04348 -0.03993 -0.91620 8.13039 8.19515 6.43136 0.11724 0.00279 0.06453 -0.00325 -5.28656 5.00564 12.99220 1.42806 56.70880 -1.47113 -1.54520 -5.26937 4.90086 1.48476 12.96705 12.65351 4.91452 0.06251 0.03514 -0.04032 0.05748 0.03598 0.01416 0.04065 -0.03733 -0.85647 7.60038 7.66092 6.01211 0.10959 0.00260 0.06032 -0.00304 -4.94194 4.67933 12.14526 1.33496 53.01206 -1.37523 -1.44447 -4.92587 4.58138 1.38797 12.12175 11.82865 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 0.027191 0.000154 0.001375 0.001043 0.000822 -0.000124 0.001514 0.001292 0.001004 0.057627 0.004361 0.004137 0.009873 0.000889 0.000408 0.000566 0.000666 -0.007303 -0.000923 -0.004860 -0.004586 0.513860 -0.008731 -0.008800 -0.007394 -0.001037 -0.004640 -0.004871 0.678380 -0.020272 0.001712 -0.000454 -0.000372 0.000153 0.002318 -0.000790 0.000050 -0.000447 -0.035222 0.000906 -0.002770 -0.007631 -0.001960 -0.002059 -0.000948 -0.000893 0.003013 -0.002707 -0.002362 0.008067 -0.314062 0.009117 0.034447 0.012589 0.001879 0.011203 0.002960 -0.420818 -0.006919 -0.001866 -0.000921 -0.000671 -0.000975 -0.002194 -0.000724 -0.001342 -0.000558 -0.022405 -0.005267 -0.001366 -0.002241 0.001071 0.001650 0.000382 0.000226 0.004290 0.003630 0.007222 -0.003481 -0.199798 -0.000387 -0.025647 -0.005195 -0.000842 -0.006563 0.001911 -0.257562 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 0.003002 0.001437 0.001368 0.000565 0.001432 -0.001035 -0.000693 -0.001682 -0.000489 0.003364 0.006817 -0.004717 -0.001198 0.000102 0.000395 -0.000537 0.000361 0.000419 0.004410 -0.000059 0.003659 0.051390 0.006666 -0.002513 -0.001798 -0.006372 -0.004102 0.000371 0.070053 -0.025021 -0.000285 0.000483 -0.000299 -0.000643 -0.000319 0.000455 -0.000446 -0.000488 -0.034292 -0.004661 -0.006381 0.005201 -0.001521 -0.002521 -0.001524 -0.001098 0.004223 0.006632 -0.000715 0.002222 -0.311145 -0.010097 -0.012009 0.003824 0.004673 0.000831 -0.000690 -0.427104 -0.001602 0.001503 0.000335 -0.000036 -0.000647 -0.001675 -0.000147 0.000334 0.000075 -0.001393 -0.004689 0.005705 -0.001013 -0.000156 -0.000713 0.000593 -0.000313 0.014531 0.005858 0.006504 0.006882 -0.019423 0.041190 -0.028484 -0.011550 -0.006584 -0.001577 -0.008080 -0.027534 -0.0298 0.9976 0.0629 0.469 -0.0416 0.8822 0.8827 0.0558 -0.4666 -0.0205 -0.0201 0.0406 -0.789 -0.777 1.566 -0.282 -0.277 0.559 -0.263 -0.259 0.522 1 N 14 0.2921 -0.3964 0.8704 0.8526 -0.3044 -0.4248 0.4333 0.8662 0.2491 -0.0026 -2.0E-4 0.0029 0.281 0.023 -0.304 0.1 0.008 -0.108 0.094 0.008 -0.101 2 Si 29 -0.3885 0.8553 -0.3428 -0.3166 0.2255 0.9214 0.8653 0.4665 0.1832 -0.0012 -0.001 0.0022 -0.646 -0.536 1.182 -0.23 -0.191 0.422 -0.215 -0.179 0.394 3 H 1 0.2467 -0.2886 0.9251 -0.2549 0.9017 0.3492 0.935 0.322 -0.1489 -7.0E-4 -5.0E-4 0.0013 -0.394 -0.291 0.686 -0.141 -0.104 0.245 -0.132 -0.097 0.229 4 H 1 -0.0106 0.4228 0.9062 -0.6638 0.6748 -0.3226 0.7479 0.6049 -0.2735 -0.0013 -9.0E-4 0.0022 -0.677 -0.505 1.182 -0.242 -0.18 0.422 -0.226 -0.168 0.394 5 H 1 0.2315 0.3389 0.9119 0.9353 0.1805 -0.3045 -0.2678 0.9233 -0.2752 -0.0029 -2.0E-4 0.0031 0.307 0.023 -0.331 0.11 0.008 -0.118 0.103 0.008 -0.11 6 Si 29 0.2468 0.9627 0.1111 -0.2085 -0.0592 0.9762 0.9464 -0.2641 0.1862 -0.001 -8.0E-4 0.0018 -0.525 -0.433 0.959 -0.187 -0.155 0.342 -0.175 -0.145 0.32 7 H 1 0.0808 -0.1318 0.988 0.5783 0.8135 0.0613 0.8118 -0.5664 -0.142 -0.0014 -0.0011 0.0025 -0.759 -0.598 1.357 -0.271 -0.213 0.484 -0.253 -0.199 0.453 8 H 1 0.3505 0.3875 0.8526 0.1336 0.8804 -0.455 0.927 -0.2734 -0.2569 -7.0E-4 -6.0E-4 0.0013 -0.386 -0.299 0.685 -0.138 -0.107 0.244 -0.129 -0.1 0.228 9 H 1 0.109 0.9162 0.3855 0.331 -0.3991 0.8551 0.9373 0.0344 -0.3467 -0.0354 -0.035 0.0704 3.756 3.716 -7.472 1.34 1.326 -2.666 1.253 1.239 -2.492 10 Si 29 0.1353 0.3816 0.9144 -0.673 0.7127 -0.1979 0.7272 0.5886 -0.3532 -0.0079 -0.0042 0.0121 -4.222 -2.256 6.479 -1.507 -0.805 2.312 -1.408 -0.753 2.161 11 H 1 0.1039 -0.696 0.7105 0.6887 0.5657 0.4535 0.7176 -0.4422 -0.5382 -0.0079 -0.0039 0.0118 -4.209 -2.102 6.311 -1.502 -0.75 2.252 -1.404 -0.701 2.105 12 H 1 0.0195 0.9868 0.1609 -0.3562 -0.1435 0.9233 0.9342 -0.0753 0.3487 -0.0078 -0.0041 0.0119 -4.173 -2.183 6.355 -1.489 -0.779 2.268 -1.392 -0.728 2.12 13 H 1 -0.0115 0.9989 0.0454 0.7287 -0.0227 0.6845 -0.6847 -0.041 0.7276 -0.002 -5.0E-4 0.0025 -0.337 -0.093 0.43 -0.12 -0.033 0.153 -0.112 -0.031 0.143 14 B 11 0.0731 0.971 0.2278 0.7904 -0.1957 0.5805 -0.6083 -0.1376 0.7817 -0.0022 -0.0015 0.0037 -1.172 -0.822 1.994 -0.418 -0.293 0.712 -0.391 -0.274 0.665 15 H 1 -0.14 0.8725 -0.4681 0.6977 0.4224 0.5786 0.7026 -0.2456 -0.6679 -0.0012 -0.001 0.0022 -0.629 -0.546 1.175 -0.225 -0.195 0.419 -0.21 -0.182 0.392 16 H 1 -0.1147 0.982 0.1503 0.6403 -0.0426 0.7669 0.7595 0.1842 -0.6239 -0.001 -7.0E-4 0.0017 -0.524 -0.359 0.883 -0.187 -0.128 0.315 -0.175 -0.12 0.295 17 H 1 -0.4869 -0.5931 0.6413 0.8639 -0.4353 0.2533 0.1289 0.6773 0.7243 -0.0124 -0.0063 0.0186 -1.658 -0.842 2.5 -0.592 -0.301 0.892 -0.553 -0.281 0.834 18 C 13 -0.431 0.8737 -0.2255 0.7346 0.1947 -0.6499 0.524 0.4457 0.7258 -0.0064 -0.0056 0.012 -3.412 -2.999 6.411 -1.217 -1.07 2.288 -1.138 -1.0 2.138 19 H 1 -0.3035 0.8447 -0.4408 0.9519 0.2898 -0.1001 -0.0432 0.45 0.892 -0.0057 -0.0048 0.0105 -3.059 -2.563 5.622 -1.092 -0.914 2.006 -1.021 -0.855 1.875 20 H 1 -0.3424 -0.3229 0.8824 0.9074 -0.3574 0.2213 0.2439 0.8764 0.4153 -0.0069 -0.0055 0.0123 -3.661 -2.927 6.587 -1.306 -1.044 2.351 -1.221 -0.976 2.197 21 H 1 0.0073 0.9833 0.182 0.355 -0.1727 0.9188 0.9348 0.0579 -0.3503 -0.3173 -0.3164 0.6336 -42.575 -42.454 85.029 -15.192 -15.149 30.341 -14.202 -14.161 28.363 22 C 13 0.3437 -0.6197 0.7056 0.9385 0.253 -0.2349 -0.0329 0.743 0.6685 -0.0415 -0.0044 0.0459 -22.132 -2.351 24.482 -7.897 -0.839 8.736 -7.382 -0.784 8.166 23 H 1 0.3473 0.3394 0.8742 0.9369 -0.1653 -0.3081 0.0399 0.926 -0.3754 -0.0415 -0.0044 0.0459 -22.131 -2.352 24.483 -7.897 -0.839 8.736 -7.382 -0.785 8.167 24 H 1 -0.4941 0.3354 0.8021 0.8601 0.323 0.3948 -0.1267 0.885 -0.4481 -0.0124 -0.0063 0.0187 -1.661 -0.847 2.509 -0.593 -0.302 0.895 -0.554 -0.283 0.837 25 C 13 0.4326 0.741 0.5136 0.7382 0.036 -0.6736 -0.5176 0.6706 -0.5315 -0.0064 -0.0056 0.012 -3.417 -2.994 6.411 -1.219 -1.068 2.288 -1.14 -0.999 2.138 26 H 1 -0.3415 0.0045 0.9399 0.9093 0.2546 0.3292 -0.2378 0.967 -0.091 -0.0069 -0.0055 0.0124 -3.667 -2.928 6.595 -1.308 -1.045 2.353 -1.223 -0.977 2.2 27 H 1 0.2873 0.6454 0.7078 0.9566 -0.2304 -0.1782 0.0481 0.7283 -0.6836 -0.0057 -0.0048 0.0106 -3.06 -2.578 5.638 -1.092 -0.92 2.012 -1.021 -0.86 1.881 28 H 1 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) PT2482.300S 2025-06-19T13:12:25.000 -66.28922 -66.28587 -66.28556 -14.49830 -14.45542 -10.34586 -10.34507 -10.33320 -6.80154 -5.41614 -5.41585 -5.41551 -3.76560 -3.76531 -3.76503 -3.76331 -3.76302 -3.76300 -3.76271 -3.76268 -3.76212 -1.06790 -0.95432 -0.83306 -0.82644 -0.69738 -0.65588 -0.65317 -0.61451 -0.59701 -0.59370 -0.58337 -0.56887 -0.50616 -0.49837 -0.49459 -0.49017 -0.48658 -0.48078 -0.45259 -0.43707 -0.43643 -0.42492 -0.42339 -0.41619 -0.40549 -0.39353 -0.34631 -0.34583 -0.24875 0.07482 0.10568 0.11030 0.11501 0.12647 0.14205 0.14574 0.15477 0.15849 0.16728 0.16887 0.17177 0.18006 0.18286 0.19038 0.20206 0.20536 0.21265 0.21735 0.22656 0.24322 0.25403 0.26175 0.27454 0.30873 0.31629 0.32350 0.33676 0.36334 0.37035 0.38444 0.39692 0.40990 0.41963 0.43178 0.43747 0.44661 0.44902 0.45039 0.46243 0.47443 0.48004 0.50712 0.51033 0.52205 0.52679 0.53154 0.55474 0.57100 0.58530 0.59517 0.60308 0.61569 0.63742 0.64808 0.66335 0.66568 0.67438 0.68162 0.69707 0.71035 0.71662 0.71780 0.71914 0.72508 0.72798 0.73510 0.74514 0.74820 0.75424 0.76532 0.77943 0.79399 0.80120 0.81017 0.82558 0.83143 0.87243 0.88062 0.88827 0.93880 0.94980 0.96832 0.98778 0.99612 1.00370 1.01287 1.01671 1.02555 1.08280 1.09813 1.12955 1.14091 1.17351 1.17856 1.19201 1.22868 1.23363 1.31620 1.36149 1.39239 1.40439 1.45477 1.47113 1.47732 1.48458 1.53181 1.54144 1.54583 1.56430 1.56604 1.59296 1.59713 1.60724 1.62026 1.63685 1.65911 1.66845 1.68609 1.71213 1.72161 1.74678 1.75011 1.75955 1.76301 1.77797 1.80702 1.81355 1.82916 1.84286 1.84759 1.85512 1.85701 1.86513 1.87682 1.88544 1.89055 1.90055 1.91679 1.92761 1.98430 2.01037 2.01235 2.04500 2.04881 2.06754 2.07099 2.07513 2.07822 2.08297 2.20773 2.21150 2.21524 2.22122 2.24244 2.28049 2.28479 2.29181 2.29992 2.31964 2.33194 2.34244 2.34570 2.36883 2.46347 2.49066 2.50225 2.51127 2.51692 2.58485 2.65251 2.65773 2.67804 2.68490 2.71292 2.72480 2.74439 2.76163 2.80780 2.86317 2.92711 2.93433 2.97762 2.98432 3.10715 3.11069 3.26739 3.31731 -66.28914 -66.28587 -66.28555 -14.49171 -14.45486 -10.34615 -10.34537 -10.32638 -6.80154 -5.41614 -5.41585 -5.41547 -3.76538 -3.76530 -3.76502 -3.76330 -3.76302 -3.76300 -3.76270 -3.76267 -3.76211 -1.05345 -0.95318 -0.83128 -0.81466 -0.68428 -0.65567 -0.64975 -0.61278 -0.59180 -0.58321 -0.57878 -0.55973 -0.50378 -0.49476 -0.49333 -0.48482 -0.48343 -0.47661 -0.45126 -0.43596 -0.43506 -0.42268 -0.41887 -0.41495 -0.39443 -0.36254 -0.34621 -0.34549 0.00180 0.08175 0.10742 0.11088 0.11557 0.12693 0.14232 0.14781 0.15502 0.15876 0.16908 0.16974 0.17649 0.18204 0.18468 0.19137 0.20365 0.21033 0.22056 0.22272 0.23090 0.24648 0.25531 0.26235 0.27604 0.30946 0.31963 0.32803 0.33931 0.36410 0.37077 0.38589 0.39741 0.41153 0.42103 0.43191 0.43780 0.44670 0.44914 0.45474 0.46325 0.47520 0.48214 0.50921 0.51108 0.52347 0.52889 0.53636 0.55571 0.57224 0.59455 0.60114 0.60871 0.61964 0.63769 0.64871 0.66414 0.66781 0.67594 0.68256 0.69830 0.71176 0.71975 0.72066 0.72162 0.72605 0.73110 0.73688 0.74624 0.74932 0.75560 0.76652 0.78239 0.79776 0.80478 0.81170 0.82661 0.83244 0.87640 0.88546 0.89902 0.94098 0.95131 0.97240 0.99289 0.99970 1.00562 1.01535 1.01708 1.02589 1.08613 1.10035 1.13316 1.14237 1.18068 1.18555 1.19917 1.22964 1.23718 1.32887 1.36441 1.39294 1.40499 1.45561 1.47142 1.47802 1.48583 1.53375 1.54252 1.54835 1.56472 1.56742 1.59432 1.59837 1.60771 1.62546 1.63744 1.65962 1.67271 1.68760 1.71303 1.72547 1.75107 1.75711 1.76159 1.76550 1.77963 1.80832 1.81403 1.83005 1.84441 1.85533 1.85641 1.86271 1.86570 1.87912 1.88781 1.89279 1.90390 1.91898 1.92964 1.98498 2.01099 2.01785 2.04586 2.05337 2.06898 2.07408 2.07788 2.07936 2.08492 2.21334 2.22130 2.22348 2.23043 2.24855 2.28060 2.28495 2.29220 2.29998 2.32239 2.33807 2.34725 2.35475 2.37482 2.46679 2.49140 2.50705 2.51225 2.51787 2.58505 2.65303 2.65803 2.68614 2.69487 2.71433 2.72687 2.74529 2.77313 2.80861 2.87215 2.93016 2.93864 2.97926 2.99807 3.11405 3.11771 3.27514 3.32467 2-A. -1.60447413e+00 7.17751375e-02 1.04601852e+00 1.67085634e+02 -1.14452244e+00 1.27553093e+02 6.35708461e+00 -6.27461188e-01 1.30406597e+02 -2.9689 -2.0639 -0.0014 -0.0002 0.0021 5.0322 17.8863 47.8663 56.9729 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 17.8048 47.8487 56.9687 87.3337 105.1011 147.9052 163.3012 175.8207 181.1696 192.1960 199.3144 216.8049 252.9598 260.4597 277.8230 282.5954 299.5002 323.9751 431.2722 459.0183 466.8888 563.4981 591.2854 638.0136 651.3615 672.3596 749.9644 775.1099 804.1628 858.0464 868.2641 881.1385 885.0698 898.8587 917.5072 922.6898 929.8370 943.5998 950.1572 970.4145 977.9443 989.8641 1014.5927 1041.0238 1084.4602 1088.8129 1110.2364 1140.4975 1163.8459 1171.5153 1175.5594 1207.5395 1367.4165 1415.8824 1439.2963 1457.7070 1461.5617 1470.2717 1482.8741 1486.6259 1557.3398 2240.0616 2252.0099 2257.0087 2263.3072 2270.8592 2274.4123 2279.3839 2283.5567 2284.4662 2408.4361 2473.3811 2479.3248 3016.7555 3020.1091 3112.2627 3115.8169 3125.6759 3170.9004 3172.3094 3247.4201 3.0656 3.7593 3.0080 4.3163 3.0948 1.9875 1.1456 1.4370 2.0505 1.6610 1.3424 1.9714 2.8653 2.5618 1.6522 1.3600 1.1092 3.1660 2.2188 5.9488 1.9321 1.1700 2.1668 1.8474 1.1787 1.1187 1.3547 1.8314 1.5666 1.2527 1.9696 1.3526 1.2043 1.3460 1.0416 1.1461 1.0682 1.0582 1.0582 1.0411 1.0451 1.1151 1.6790 2.0746 1.2117 1.6523 1.2399 1.5148 1.4222 1.0531 1.0531 1.1330 3.0785 1.2843 1.1912 1.0386 1.3194 1.0583 1.0611 1.1162 2.2638 1.0159 1.0396 1.0472 1.0466 1.0267 1.0358 1.0421 1.0539 1.0540 1.0256 1.1140 1.1140 1.0421 1.0432 1.0965 1.0983 1.0530 1.1047 1.1048 1.1204 0.0006 0.0051 0.0058 0.0194 0.0201 0.0256 0.0180 0.0262 0.0397 0.0362 0.0314 0.0546 0.1080 0.1024 0.0751 0.0640 0.0586 0.1958 0.2431 0.7385 0.2482 0.2189 0.4463 0.4431 0.2947 0.2980 0.4489 0.6483 0.5969 0.5434 0.8749 0.6187 0.5558 0.6407 0.5166 0.5749 0.5441 0.5551 0.5629 0.5776 0.5889 0.6438 1.0183 1.3247 0.8396 1.1541 0.9005 1.1609 1.1350 0.8516 0.8575 0.9733 3.3915 1.5170 1.4540 1.3003 1.6605 1.3479 1.3747 1.4534 3.2348 3.0034 3.1064 3.1431 3.1588 3.1195 3.1570 3.1902 3.2379 3.2408 3.5051 4.0153 4.0348 5.5878 5.6059 6.2575 6.2822 6.0611 6.5445 6.5508 6.9616 1.5628 0.9254 0.2950 36.9259 1.6595 21.3192 7.6844 4.4911 1.4427 16.0873 1.4068 30.5135 11.1741 3.6444 24.5526 19.7669 5.0444 0.8360 0.7459 71.7617 0.3105 1.0444 67.9425 51.8584 0.5338 1.4750 111.2380 60.6379 311.9075 159.2160 10.1513 77.6611 92.7462 187.0316 11.7022 356.8856 118.8552 89.7893 188.8309 37.4815 85.6388 39.9717 72.7849 129.5521 0.5803 8.2151 3.1366 12.3846 13.4792 1.6112 0.7855 63.6773 20.4101 6.0677 0.0410 2.5317 3.6951 31.9014 7.8452 9.9754 44.9233 18.1242 27.0087 22.9854 271.0871 52.0429 29.8384 40.2716 114.5795 123.9405 53.8275 245.4331 202.2923 24.0980 34.9777 49.3537 4.5273 7.4326 6.1979 9.1073 5.2051 -0.00 -0.03 -0.00 -0.07 0.02 -0.09 -0.09 0.10 -0.10 -0.06 0.06 -0.08 -0.11 -0.05 -0.15 0.05 0.03 0.08 0.04 0.13 0.08 0.10 -0.01 0.15 0.05 0.03 0.09 -0.00 -0.06 -0.00 -0.05 -0.09 -0.07 0.04 -0.11 0.05 0.00 0.01 0.01 0.00 -0.13 -0.00 -0.01 -0.18 -0.03 0.04 -0.14 0.06 -0.02 -0.12 -0.03 0.07 0.15 -0.15 0.08 0.18 -0.16 0.09 0.29 -0.13 0.10 0.08 -0.29 -0.00 -0.10 -0.01 -0.02 -0.19 0.08 0.01 -0.15 -0.14 -0.04 0.09 0.18 -0.03 0.12 0.18 -0.08 -0.02 0.29 -0.04 0.22 0.23 0.01 0.02 0.00 -0.07 -0.01 0.03 -0.08 0.01 -0.03 0.03 -0.00 -0.02 -0.11 0.05 -0.15 -0.17 -0.01 0.04 -0.01 0.01 -0.07 0.11 0.01 -0.10 0.00 -0.01 -0.00 -0.08 0.03 -0.17 -0.03 -0.04 0.14 -0.02 -0.03 0.17 -0.01 -0.06 0.17 0.04 -0.03 0.13 -0.21 -0.00 0.05 -0.24 -0.02 0.14 -0.22 0.00 0.03 -0.27 0.02 -0.03 0.15 0.01 -0.04 0.19 0.03 -0.11 0.20 -0.02 0.00 0.09 0.02 -0.03 -0.00 0.01 0.03 -0.04 0.02 0.02 -0.09 0.02 0.05 0.24 0.02 -0.10 0.28 0.06 -0.17 0.23 0.04 -0.12 0.30 -0.06 -0.06 0.12 0.02 -0.05 -0.01 0.03 0.01 0.10 -0.02 -0.03 0.19 -0.02 -0.02 0.08 -0.11 -0.10 0.13 0.02 0.01 -0.09 -0.04 -0.01 -0.05 -0.06 -0.02 -0.17 0.01 0.01 -0.11 -0.11 -0.04 -0.01 0.10 0.05 -0.00 0.09 0.01 -0.00 0.07 0.09 0.01 0.15 0.06 -0.07 0.02 0.02 -0.06 0.05 0.05 -0.12 0.01 0.03 -0.06 -0.03 -0.02 0.22 -0.03 -0.08 0.20 -0.19 -0.07 0.22 0.18 -0.09 0.42 -0.05 -0.14 -0.01 0.02 0.01 -0.13 0.00 0.02 0.09 0.01 -0.01 -0.17 -0.05 0.04 -0.15 -0.19 -0.03 -0.36 -0.09 0.08 -0.16 0.12 0.11 0.02 -0.05 -0.02 -0.06 0.01 -0.05 -0.08 0.00 0.03 -0.24 0.01 0.02 -0.04 0.01 0.18 -0.00 0.01 -0.04 -0.15 -0.01 0.06 -0.28 -0.02 0.10 -0.18 0.01 -0.01 -0.06 -0.08 0.18 -0.10 0.02 -0.10 -0.01 0.05 -0.13 -0.01 0.04 -0.18 -0.01 -0.01 -0.11 0.07 0.02 -0.06 0.11 0.06 -0.15 0.05 0.02 -0.05 0.14 -0.02 0.01 0.10 -0.02 0.05 0.02 -0.06 0.20 -0.01 0.04 -0.06 0.23 -0.02 0.04 0.28 -0.01 -0.03 0.30 -0.02 -0.02 0.30 -0.01 -0.03 0.11 -0.01 0.06 0.03 -0.01 0.21 0.24 -0.02 0.06 0.00 -0.02 -0.06 0.19 -0.02 0.03 0.00 -0.06 -0.01 -0.12 -0.02 0.07 -0.22 -0.07 0.08 -0.09 0.08 0.15 -0.14 -0.05 0.06 0.09 -0.01 -0.06 0.06 -0.05 -0.05 0.18 -0.07 -0.13 0.11 0.11 -0.04 -0.00 -0.05 -0.02 0.03 -0.07 -0.13 -0.01 -0.11 0.07 -0.00 0.04 -0.00 0.04 -0.06 -0.01 0.00 -0.15 -0.04 0.15 -0.05 -0.02 -0.01 0.02 0.01 0.14 0.01 0.06 0.08 -0.19 0.13 0.08 0.13 -0.00 0.36 0.03 0.08 0.03 0.20 0.02 0.03 0.27 -0.07 0.05 0.24 0.12 -0.15 0.03 -0.04 -0.14 -0.14 -0.10 -0.32 0.06 -0.07 -0.15 0.13 -0.01 0.01 0.07 0.01 -0.00 -0.00 0.03 0.03 -0.02 0.02 0.09 -0.03 0.02 0.01 -0.05 -0.04 0.03 -0.00 0.04 0.05 0.03 -0.00 0.25 0.14 -0.07 0.04 0.01 0.20 -0.07 -0.04 -0.16 -0.03 -0.00 0.03 0.06 0.04 0.05 0.04 -0.00 -0.01 -0.01 -0.03 0.03 -0.12 -0.03 0.05 -0.10 0.05 0.11 -0.25 -0.05 0.08 -0.10 -0.12 -0.04 -0.09 0.00 -0.02 -0.17 -0.00 0.13 -0.20 0.01 -0.14 0.00 0.01 -0.02 0.14 0.01 -0.11 0.16 -0.00 -0.10 0.16 0.01 -0.12 -0.09 0.00 -0.01 -0.27 0.03 0.33 0.22 0.01 -0.03 -0.34 -0.04 -0.29 0.06 0.01 -0.05 0.00 -0.01 0.03 0.00 0.01 -0.03 0.22 -0.05 -0.01 -0.05 0.11 -0.25 -0.17 0.01 0.14 -0.01 -0.03 0.00 -0.25 -0.21 0.09 0.07 -0.04 -0.30 0.14 0.15 0.20 -0.00 -0.00 0.03 -0.04 -0.05 -0.11 0.06 -0.10 0.13 -0.01 0.13 0.05 0.02 0.03 0.03 -0.09 -0.24 0.03 0.34 0.08 -0.05 -0.15 0.30 0.07 -0.01 0.00 -0.01 0.02 0.06 -0.04 0.02 -0.05 0.03 -0.09 0.01 0.01 0.02 0.00 -0.02 0.03 -0.00 -0.02 0.02 0.00 -0.02 -0.03 0.00 -0.00 -0.12 0.04 0.18 0.17 0.01 -0.02 -0.15 -0.05 -0.16 0.01 0.00 -0.01 0.00 -0.02 0.00 0.01 -0.01 -0.04 0.19 -0.07 -0.02 -0.03 0.04 -0.21 -0.10 0.00 0.09 0.01 0.00 0.06 -0.06 -0.00 0.08 0.03 -0.01 -0.00 0.04 0.02 0.10 -0.00 -0.06 -0.01 0.07 0.01 0.18 -0.05 0.06 -0.15 0.00 -0.27 -0.04 -0.04 0.11 0.01 -0.05 0.14 0.09 -0.04 0.15 -0.12 -0.07 0.18 0.04 -0.04 0.00 0.01 -0.19 -0.18 0.26 -0.23 0.17 -0.19 0.29 -0.00 -0.02 0.03 0.02 -0.02 0.05 0.04 -0.04 0.01 0.03 0.01 0.00 0.01 -0.01 0.12 -0.09 -0.26 -0.30 -0.01 0.02 0.16 0.12 0.20 0.01 0.01 -0.01 0.04 -0.01 0.05 -0.06 0.07 -0.06 -0.28 0.26 -0.10 0.00 0.08 0.16 -0.01 -0.06 -0.29 -0.03 -0.08 -0.03 -0.03 -0.21 -0.02 -0.12 -0.01 -0.10 -0.03 -0.11 -0.03 0.06 -0.01 0.08 0.13 0.06 0.27 -0.03 0.14 -0.08 0.05 -0.21 0.04 0.10 0.04 0.04 0.21 0.25 -0.01 -0.08 0.03 0.03 0.26 -0.12 0.10 -0.03 0.01 -0.02 -0.11 -0.08 0.13 -0.14 0.11 -0.14 0.15 -0.00 -0.05 -0.01 0.00 -0.00 -0.04 -0.01 0.00 -0.02 -0.00 -0.01 -0.03 -0.00 -0.02 -0.12 0.02 0.15 0.14 0.01 -0.04 -0.15 -0.05 -0.16 0.01 0.00 -0.02 -0.01 -0.01 -0.05 0.02 -0.03 -0.01 0.03 -0.08 0.00 0.01 -0.06 -0.01 0.04 0.01 0.04 0.01 0.03 0.05 -0.01 0.12 0.04 0.02 0.01 0.09 0.01 -0.00 0.05 0.00 -0.04 -0.04 -0.02 -0.03 0.09 -0.08 0.04 -0.10 0.02 -0.18 -0.06 -0.01 0.07 -0.05 0.01 0.16 -0.01 -0.08 0.09 -0.12 0.02 0.06 -0.01 0.09 0.02 -0.00 0.07 -0.07 0.01 0.08 0.14 -0.01 0.20 0.00 -0.04 -0.11 0.01 0.09 -0.13 0.03 0.07 -0.15 0.02 0.10 -0.00 -0.01 -0.02 -0.19 0.12 0.36 0.46 0.06 -0.11 -0.25 -0.22 -0.37 -0.01 0.01 0.02 -0.02 0.01 0.01 0.02 -0.01 0.02 -0.02 0.01 0.01 0.03 -0.07 0.06 0.09 0.01 -0.02 0.01 0.02 -0.04 -0.04 -0.02 -0.01 0.07 -0.01 -0.10 0.05 0.12 0.01 -0.03 0.04 0.01 -0.08 -0.01 -0.12 -0.01 -0.03 0.10 -0.02 0.19 0.04 0.03 -0.07 0.00 -0.00 -0.21 -0.07 0.17 -0.08 0.07 -0.01 -0.02 0.00 -0.04 0.01 -0.02 -0.25 -0.24 0.34 -0.31 0.31 -0.29 0.44 -0.02 -0.11 -0.05 -0.03 0.03 -0.08 -0.04 0.04 -0.06 -0.04 0.02 0.06 -0.01 -0.01 0.06 0.04 0.01 0.12 0.00 -0.02 0.06 -0.07 -0.03 0.00 -0.01 0.00 0.08 0.02 -0.03 -0.04 0.07 0.06 0.19 -0.14 0.10 -0.11 0.33 -0.25 -0.33 0.04 0.30 -0.04 -0.06 0.02 0.12 0.05 -0.04 -0.23 0.04 0.25 -0.14 -0.33 -0.10 0.10 0.02 -0.06 0.03 -0.01 -0.05 0.06 -0.01 0.02 0.07 0.07 -0.04 -0.06 -0.06 -0.02 -0.13 -0.18 0.07 -0.02 -0.08 0.05 -0.17 -0.02 -0.16 -0.01 0.01 -0.01 -0.07 -0.08 0.09 -0.09 0.11 -0.08 0.14 -0.01 -0.04 -0.02 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.00 0.01 -0.01 -0.01 -0.00 0.03 0.03 0.08 0.01 -0.02 -0.01 -0.06 -0.05 -0.02 -0.00 0.01 0.02 -0.09 -0.08 -0.08 -0.08 0.01 -0.20 -0.17 0.02 -0.05 0.03 0.11 -0.09 -0.08 0.03 0.07 -0.03 0.05 -0.25 -0.08 0.15 0.25 -0.12 -0.26 0.24 0.21 0.26 0.06 0.16 0.02 0.18 0.23 0.15 -0.10 0.25 -0.00 0.08 0.11 0.01 -0.10 0.02 -0.09 -0.07 0.17 0.05 -0.25 0.04 -0.18 -0.07 -0.02 -0.10 -0.03 -0.01 -0.03 -0.03 0.03 -0.01 -0.04 -0.01 -0.04 -0.05 -0.02 -0.05 -0.00 -0.03 -0.01 -0.09 -0.07 0.04 0.09 -0.05 -0.07 0.02 -0.02 0.02 0.02 0.01 0.02 0.03 -0.03 0.03 0.02 -0.01 0.02 0.00 -0.03 -0.01 -0.01 0.04 -0.13 0.02 -0.01 0.03 -0.28 -0.02 0.02 0.10 -0.14 0.34 0.29 0.07 -0.11 -0.08 0.06 0.02 -0.23 0.15 0.06 -0.09 0.07 0.02 0.02 -0.03 0.15 0.10 -0.07 0.09 0.01 -0.10 0.11 0.09 -0.14 0.19 0.23 -0.03 0.08 -0.04 -0.02 -0.14 -0.15 -0.26 -0.13 0.21 -0.01 -0.11 -0.18 0.16 -0.16 -0.05 -0.00 -0.00 -0.07 0.03 0.05 -0.09 -0.08 -0.05 -0.08 0.01 0.03 0.00 0.01 -0.01 0.00 0.02 -0.03 -0.06 0.01 0.00 -0.05 0.01 -0.01 -0.05 -0.06 -0.02 -0.13 -0.01 0.01 -0.07 0.12 0.01 0.06 0.02 -0.05 -0.03 -0.04 -0.03 -0.04 -0.06 -0.02 0.09 -0.17 0.01 -0.07 0.02 -0.14 -0.15 -0.02 0.15 0.01 0.00 0.00 0.33 0.26 -0.12 -0.09 0.02 0.42 -0.18 -0.25 -0.24 -0.02 0.05 0.06 0.01 0.05 0.03 -0.05 0.05 0.07 0.03 0.09 0.06 0.13 0.06 -0.05 0.11 -0.06 -0.15 0.35 0.11 -0.15 0.10 0.23 0.12 -0.02 -0.01 -0.01 -0.02 0.03 0.01 -0.03 -0.06 -0.02 -0.06 -0.00 0.01 -0.01 -0.01 0.01 -0.07 -0.02 0.02 -0.01 -0.02 -0.01 -0.00 0.00 0.01 -0.00 -0.02 0.00 -0.04 -0.02 0.03 -0.01 0.05 0.02 0.04 -0.00 -0.02 0.02 -0.03 0.03 -0.01 0.00 -0.02 -0.32 0.19 -0.07 0.08 -0.14 0.31 0.22 -0.04 -0.29 0.02 -0.05 0.02 0.17 0.02 -0.04 -0.06 -0.01 0.16 -0.07 -0.16 -0.10 0.01 0.01 -0.04 -0.02 -0.03 -0.17 0.05 -0.09 0.09 -0.04 0.17 0.00 -0.07 0.09 0.05 -0.20 -0.14 0.17 0.19 0.16 -0.11 -0.27 0.37 0.05 0.01 0.01 -0.00 0.00 -0.02 -0.00 0.01 0.06 -0.00 0.05 -0.01 -0.03 0.01 -0.00 -0.01 0.04 -0.00 -0.01 0.04 -0.00 -0.01 0.02 -0.01 0.00 0.02 0.03 -0.00 0.05 0.01 -0.01 0.03 -0.06 -0.00 -0.04 -0.01 0.02 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.02 -0.03 0.00 -0.01 0.03 -0.04 -0.05 -0.01 0.02 -0.00 -0.01 0.01 -0.02 -0.00 0.02 0.01 -0.01 -0.00 -0.00 -0.01 0.01 0.02 -0.02 0.01 -0.17 -0.18 -0.40 0.17 -0.31 0.33 0.03 0.44 0.09 0.00 0.07 -0.02 0.13 0.38 -0.01 -0.30 0.06 -0.05 0.19 -0.15 0.02 -0.02 0.00 -0.00 -0.04 -0.02 0.04 -0.05 0.02 -0.03 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.01 -0.02 -0.04 0.00 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.00 0.00 0.00 0.02 0.01 0.01 0.00 -0.01 0.02 -0.00 0.03 0.01 0.02 0.00 -0.04 0.09 -0.02 0.02 -0.00 0.04 0.03 -0.01 -0.07 0.02 -0.03 0.01 0.04 -0.08 0.00 0.02 -0.02 -0.03 0.01 -0.00 -0.01 -0.02 0.02 -0.08 -0.08 -0.02 -0.09 -0.08 0.04 -0.06 -0.04 0.02 -0.07 -0.04 0.01 0.05 -0.06 -0.02 0.11 -0.04 0.01 0.03 -0.08 0.03 0.00 -0.03 -0.07 0.03 -0.09 0.03 0.16 -0.15 -0.37 -0.09 -0.15 0.01 0.19 -0.14 -0.02 0.12 -0.31 -0.02 0.11 -0.31 -0.02 0.11 -0.03 0.05 0.05 -0.09 -0.08 0.13 -0.16 -0.08 0.18 -0.15 0.38 0.04 0.28 0.02 -0.15 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 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.04 -0.01 -0.02 -0.04 0.01 -0.01 0.04 0.01 -0.02 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.05 0.16 -0.06 -0.03 0.47 -0.04 -0.06 0.21 -0.07 -0.24 0.03 -0.29 0.05 -0.03 0.14 0.00 -0.02 0.14 0.00 -0.03 0.13 -0.05 -0.13 -0.11 -0.03 -0.43 -0.20 -0.24 0.07 -0.28 -0.06 -0.17 -0.14 0.10 -0.02 0.09 -0.09 -0.00 0.11 -0.09 -0.16 -0.04 0.03 -0.13 -0.04 -0.13 -0.36 -0.12 -0.10 -0.17 -0.02 -0.11 0.15 -0.04 -0.05 0.17 -0.07 -0.06 0.11 -0.03 -0.17 0.35 -0.12 0.24 0.02 -0.10 0.08 -0.02 -0.04 0.10 0.01 -0.01 0.10 0.02 -0.08 0.02 0.01 0.30 0.06 0.01 0.19 0.05 0.02 0.29 0.07 -0.01 0.37 -0.00 0.01 0.00 -0.01 0.01 0.02 -0.02 -0.01 -0.02 -0.00 0.01 0.00 0.00 -0.00 0.01 0.04 0.00 -0.00 0.04 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.02 0.02 -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 0.00 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 0.00 -0.01 -0.00 0.04 0.01 -0.01 -0.04 0.01 0.01 0.00 -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 -0.05 -0.03 -0.13 -0.05 0.12 -0.11 -0.06 0.02 -0.13 -0.13 -0.10 -0.24 0.00 0.17 0.03 0.05 0.47 -0.31 -0.04 0.34 0.46 0.05 -0.07 0.11 0.04 0.07 0.15 0.12 -0.17 0.19 0.05 -0.03 0.13 0.00 -0.11 -0.02 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.02 -0.01 -0.00 0.00 0.03 0.01 -0.02 -0.02 -0.00 0.00 -0.00 0.00 0.02 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.02 -0.01 0.00 0.02 0.00 -0.07 0.02 0.08 0.07 0.04 -0.07 -0.00 0.03 0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.01 0.02 0.01 0.01 0.02 -0.04 -0.01 0.04 0.03 0.04 0.06 0.02 0.03 -0.00 -0.10 -0.02 0.59 0.15 -0.31 -0.59 0.04 0.34 -0.01 0.02 -0.01 -0.02 -0.04 -0.00 -0.06 0.03 -0.02 -0.04 0.04 -0.03 0.00 0.02 0.00 0.10 0.01 -0.16 0.01 -0.02 -0.03 -0.29 -0.39 0.02 0.09 0.33 0.19 -0.03 0.06 0.12 0.01 0.02 -0.03 -0.29 0.25 0.05 -0.12 0.09 0.06 0.20 -0.35 0.23 -0.06 -0.00 0.02 0.06 0.03 -0.01 0.05 -0.03 -0.00 0.14 0.02 -0.01 0.03 0.00 0.23 0.02 0.02 0.21 -0.05 0.02 0.10 -0.04 -0.02 0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.02 -0.00 0.00 -0.05 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 0.14 0.01 0.08 0.01 -0.08 0.00 -0.12 0.18 -0.05 0.05 0.36 0.04 -0.33 -0.43 -0.19 -0.02 0.08 -0.00 0.07 -0.31 0.00 -0.31 0.29 -0.16 -0.04 -0.11 -0.04 -0.03 -0.00 0.01 0.06 0.00 -0.09 0.12 -0.00 -0.08 -0.08 -0.01 0.02 0.01 -0.00 -0.09 -0.05 -0.01 0.16 -0.04 -0.01 -0.04 -0.07 0.03 -0.17 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.05 -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 -0.01 -0.05 -0.01 0.05 0.01 0.02 -0.07 0.23 -0.03 0.06 0.33 0.01 -0.31 -0.37 -0.18 -0.04 -0.01 -0.02 -0.06 0.40 -0.04 0.41 -0.34 0.21 0.00 0.23 0.03 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.01 0.01 0.00 -0.03 -0.01 -0.00 0.01 0.01 -0.01 -0.00 -0.01 0.02 0.01 -0.01 -0.00 0.02 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -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 0.01 0.01 0.00 -0.03 -0.01 0.03 0.28 0.42 -0.04 -0.11 -0.34 -0.22 -0.01 -0.14 -0.18 0.02 -0.00 -0.03 -0.30 0.26 0.06 -0.09 0.06 0.09 0.24 -0.41 0.27 -0.00 0.00 0.00 0.07 0.03 -0.00 -0.04 0.03 -0.01 -0.01 0.05 0.01 -0.00 0.03 -0.00 -0.01 -0.01 -0.04 0.01 -0.01 0.12 -0.01 -0.03 -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 -0.01 -0.00 0.02 0.00 -0.01 -0.03 -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 0.03 0.04 -0.11 -0.01 -0.01 0.02 0.15 0.27 -0.02 -0.07 -0.18 -0.14 -0.03 -0.13 -0.14 -0.00 -0.01 0.03 0.20 -0.22 -0.02 0.03 -0.02 -0.08 -0.15 0.26 -0.18 -0.03 0.00 -0.01 -0.08 0.05 0.28 -0.01 -0.16 0.23 0.54 0.00 -0.09 0.06 0.02 0.06 -0.02 -0.05 0.18 -0.04 0.00 0.08 -0.07 -0.01 -0.22 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 0.00 -0.00 -0.03 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.01 -0.00 0.00 0.02 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.02 0.18 0.03 -0.02 -0.07 -0.02 -0.09 -0.06 -0.02 0.02 0.17 0.06 -0.02 -0.02 0.03 0.03 -0.06 0.01 -0.03 0.10 0.01 0.06 -0.08 0.08 0.06 0.06 0.05 0.01 0.02 0.01 -0.48 -0.17 -0.03 0.40 -0.06 -0.14 0.02 -0.33 -0.06 -0.02 0.07 -0.02 -0.04 -0.11 -0.24 0.05 -0.06 0.42 0.02 -0.10 -0.18 -0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.02 0.00 -0.07 0.01 0.02 0.07 0.01 -0.02 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.16 0.01 0.04 -0.05 -0.01 -0.01 0.07 -0.09 0.01 -0.08 -0.27 -0.09 0.30 0.30 0.09 -0.05 0.00 -0.01 -0.00 0.18 -0.04 0.34 -0.28 0.14 -0.05 0.20 -0.02 -0.02 -0.00 0.02 0.23 0.06 -0.10 0.25 -0.04 -0.12 -0.20 -0.01 0.04 0.06 0.01 -0.04 -0.03 -0.02 0.28 -0.10 -0.02 0.03 -0.09 0.02 -0.28 -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 0.00 0.00 -0.06 -0.01 0.01 -0.06 0.00 0.01 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.02 0.00 0.01 -0.00 0.00 -0.01 -0.00 0.10 0.00 -0.00 -0.01 -0.09 -0.12 0.00 0.02 0.12 0.03 0.06 0.08 0.05 0.00 0.01 -0.02 -0.08 0.13 0.00 0.04 -0.02 -0.01 0.08 -0.19 0.08 -0.01 0.01 -0.05 0.02 0.16 0.60 0.13 -0.40 0.48 0.05 -0.02 -0.05 0.02 -0.01 -0.05 -0.00 0.03 0.07 -0.04 -0.01 -0.06 0.02 0.01 0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.01 -0.02 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 0.03 0.14 0.02 -0.01 0.15 -0.02 -0.02 0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.01 0.02 -0.01 -0.01 0.03 -0.01 0.00 -0.00 0.00 0.03 -0.01 0.06 -0.00 -0.00 -0.01 -0.02 -0.05 0.00 0.01 0.02 0.03 0.05 0.08 0.06 -0.01 0.01 -0.01 -0.02 0.04 -0.00 0.07 -0.06 0.07 0.04 -0.03 0.06 -0.00 -0.00 0.01 -0.17 -0.12 -0.25 -0.33 0.23 -0.11 0.43 0.01 -0.05 0.00 0.00 -0.02 -0.01 0.00 0.08 -0.02 -0.01 0.01 -0.02 0.00 -0.06 -0.02 -0.13 -0.11 -0.02 -0.12 -0.12 -0.02 -0.10 -0.10 -0.04 -0.16 -0.16 0.04 -0.03 0.13 0.30 -0.00 0.10 0.29 -0.04 0.10 -0.02 0.16 -0.06 -0.02 0.15 -0.07 -0.04 0.21 -0.10 -0.02 0.13 -0.06 -0.02 -0.01 0.05 0.01 -0.01 0.10 -0.00 -0.00 -0.01 -0.05 -0.07 -0.00 0.02 0.08 0.05 0.06 0.10 0.08 -0.01 0.01 -0.01 -0.04 0.06 -0.01 0.08 -0.06 0.05 0.07 -0.13 0.09 -0.00 0.00 -0.01 -0.19 -0.09 -0.09 -0.30 0.11 0.03 0.64 -0.01 -0.10 0.00 -0.01 -0.04 -0.01 0.02 0.08 -0.03 -0.01 -0.02 -0.01 0.01 -0.03 0.01 0.04 0.04 0.02 0.02 0.02 0.02 0.05 0.06 0.02 0.06 0.06 0.05 0.01 -0.08 -0.36 -0.05 -0.00 -0.38 0.04 0.02 0.00 -0.05 0.02 0.01 -0.03 0.01 0.02 -0.07 0.04 0.02 -0.07 0.03 -0.01 0.00 -0.01 -0.01 0.06 0.02 -0.00 -0.02 -0.01 -0.03 -0.07 -0.00 0.02 0.23 0.01 0.08 0.02 -0.03 0.01 -0.02 0.00 0.01 -0.04 0.01 -0.02 -0.01 0.10 0.00 0.16 0.01 -0.00 -0.04 -0.01 0.48 0.17 0.10 -0.39 0.10 0.04 -0.00 0.46 0.08 -0.01 0.08 -0.01 -0.04 -0.11 -0.20 0.04 -0.04 0.36 0.03 -0.10 -0.16 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 -0.00 0.03 -0.01 -0.01 -0.01 -0.01 -0.01 -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 0.03 0.00 0.01 -0.00 0.00 -0.00 -0.05 -0.07 0.01 -0.01 -0.08 -0.01 -0.03 -0.02 0.00 -0.00 -0.00 -0.01 -0.03 0.04 0.00 -0.03 0.01 0.06 0.01 0.07 0.02 0.00 0.00 0.01 -0.32 -0.14 -0.07 -0.41 0.14 0.09 -0.00 -0.06 -0.00 0.03 0.00 -0.01 -0.01 -0.00 0.17 -0.05 -0.01 0.02 -0.05 0.01 -0.14 0.02 0.06 0.04 0.01 0.04 0.06 -0.00 0.00 0.02 0.01 0.09 0.09 -0.11 0.00 -0.02 0.47 0.11 -0.17 0.46 -0.05 -0.20 0.02 -0.08 0.02 0.00 -0.06 0.05 0.00 -0.12 0.06 -0.00 -0.01 0.01 0.02 0.01 -0.04 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.05 -0.03 0.01 0.01 -0.04 0.06 -0.02 -0.02 -0.01 -0.00 0.01 -0.00 -0.04 -0.03 0.01 0.09 -0.06 -0.01 -0.03 -0.10 -0.04 -0.00 -0.03 -0.00 -0.28 -0.03 0.39 0.27 0.18 -0.48 0.13 0.58 0.09 -0.00 -0.02 -0.00 0.01 0.03 0.03 0.01 0.01 -0.09 -0.01 0.03 0.05 0.00 0.01 0.00 -0.00 0.01 0.01 -0.01 0.00 -0.01 -0.01 0.01 0.01 -0.02 0.02 0.00 0.01 0.01 0.01 0.11 0.00 -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 0.01 -0.02 0.01 0.01 -0.01 0.01 0.00 0.00 -0.01 -0.02 -0.01 0.01 -0.00 -0.01 0.00 0.07 0.16 -0.02 0.02 0.13 0.04 0.08 0.10 0.07 -0.01 0.01 0.01 0.09 -0.11 -0.01 0.18 -0.10 -0.11 -0.02 -0.22 -0.01 -0.02 0.01 0.00 0.41 0.10 -0.27 0.33 -0.07 -0.13 0.46 -0.11 -0.08 -0.04 -0.00 0.00 0.01 -0.00 -0.19 0.06 0.00 0.01 0.05 -0.01 0.15 0.00 0.02 0.02 0.00 0.02 0.02 0.01 0.03 0.02 0.01 0.03 0.02 -0.08 -0.00 0.01 0.22 0.06 -0.08 0.21 -0.03 -0.08 0.00 -0.02 0.01 0.00 -0.03 0.01 0.00 -0.03 0.01 0.00 -0.03 0.01 0.01 0.00 -0.02 -0.00 -0.04 0.00 -0.01 -0.02 0.02 0.04 0.16 -0.02 -0.06 0.44 -0.29 0.45 0.18 -0.16 0.01 -0.02 -0.01 -0.10 0.09 0.02 -0.32 0.19 0.23 0.07 0.38 0.07 -0.00 0.00 0.00 -0.07 -0.02 0.02 0.12 -0.00 -0.08 0.08 0.00 -0.01 -0.00 -0.02 0.00 0.01 0.04 0.05 0.00 0.02 -0.15 0.01 0.03 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 -0.01 0.00 0.00 0.01 0.01 -0.01 0.03 -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 0.01 0.00 0.01 -0.02 0.09 0.10 -0.02 0.09 -0.27 0.38 -0.33 0.00 0.30 0.00 -0.01 -0.02 -0.01 -0.08 -0.00 -0.26 0.12 0.43 0.18 0.39 0.21 -0.01 0.00 -0.00 0.11 0.05 0.02 0.14 -0.06 -0.02 0.14 0.01 -0.02 -0.02 -0.01 -0.01 0.01 0.02 -0.05 0.01 0.00 -0.05 0.01 -0.01 0.02 -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 0.00 0.01 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 0.00 -0.01 0.00 0.00 0.00 -0.00 0.02 0.00 0.00 -0.01 -0.02 -0.02 0.26 0.34 -0.05 0.10 0.13 0.36 -0.02 0.17 0.27 0.01 -0.02 0.02 -0.21 0.43 0.03 -0.09 0.10 -0.36 -0.23 0.06 -0.31 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.11 0.02 0.04 -0.03 0.03 0.01 0.00 -0.01 -0.00 0.01 0.01 0.01 -0.00 -0.00 -0.02 -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 -0.01 -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 -0.02 0.01 -0.00 0.46 -0.24 0.07 0.08 0.11 0.28 0.09 -0.13 -0.29 0.02 0.02 -0.01 -0.43 -0.29 0.16 0.09 -0.09 0.31 -0.18 -0.05 -0.25 0.00 0.01 -0.00 -0.00 -0.00 -0.04 -0.00 -0.03 0.06 -0.00 -0.09 -0.02 0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.01 0.00 -0.01 -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 -0.01 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 0.01 -0.02 0.02 -0.00 0.45 -0.31 0.08 0.06 0.05 0.26 0.08 -0.16 -0.33 -0.02 -0.01 0.01 0.42 0.27 -0.16 -0.09 0.08 -0.27 0.20 0.07 0.27 -0.00 0.00 0.00 0.01 0.00 -0.02 0.03 -0.00 -0.02 0.03 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.01 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 0.01 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 -0.02 -0.01 -0.05 -0.01 -0.03 -0.01 0.23 0.38 -0.06 0.07 0.28 0.21 0.13 0.21 0.20 -0.02 0.02 -0.01 0.28 -0.35 -0.07 0.21 -0.15 0.15 0.18 -0.19 0.26 0.02 0.00 -0.00 -0.17 -0.05 0.08 -0.14 0.03 0.07 -0.24 0.00 0.03 0.01 0.00 0.01 -0.01 0.01 0.13 -0.03 -0.01 0.06 -0.01 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 0.00 -0.00 -0.02 -0.01 0.01 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.19 0.01 -0.02 -0.02 -0.01 0.00 0.06 -0.00 0.01 -0.04 -0.11 -0.07 0.08 0.01 -0.05 -0.02 0.01 0.00 0.06 -0.05 -0.02 0.10 -0.07 0.03 -0.02 0.07 -0.01 -0.02 0.00 -0.01 -0.22 -0.04 0.16 -0.22 -0.02 0.18 -0.02 -0.01 -0.01 -0.13 -0.01 0.01 0.04 0.07 -0.55 0.29 0.04 -0.01 0.22 -0.10 0.53 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.01 0.01 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.02 0.25 -0.00 -0.01 -0.04 0.00 -0.00 0.02 -0.01 -0.02 0.01 -0.04 -0.06 -0.11 -0.07 0.01 -0.04 -0.00 0.02 0.04 -0.01 0.11 -0.11 0.08 0.06 0.00 0.07 0.00 -0.02 -0.00 0.25 0.05 -0.10 -0.20 0.05 0.04 -0.00 0.06 0.02 0.00 -0.14 0.00 0.12 0.32 0.28 0.00 0.05 -0.61 -0.09 0.22 0.32 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 -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 0.01 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 -0.01 -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 -0.01 0.05 -0.08 -0.07 -0.29 -0.02 0.03 -0.32 -0.04 0.05 0.29 0.36 -0.00 -0.04 -0.01 -0.19 0.11 -0.19 0.19 0.04 0.21 0.01 0.02 0.09 0.07 -0.28 -0.07 -0.05 0.39 -0.24 -0.03 -0.31 -0.07 -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 0.01 -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 0.02 0.06 0.11 0.04 0.18 0.08 0.00 0.18 0.08 -0.01 -0.02 -0.06 -0.00 -0.11 -0.02 -0.42 0.22 -0.40 0.42 0.07 0.46 -0.02 0.10 -0.08 -0.04 0.20 -0.02 0.01 -0.04 0.05 -0.00 0.20 -0.01 -0.00 -0.11 -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 0.00 -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 -0.01 -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 0.10 0.01 -0.01 -0.07 0.28 0.37 -0.19 -0.27 -0.30 -0.21 0.03 0.05 0.00 -0.00 0.00 0.08 -0.02 0.01 -0.08 -0.01 -0.02 -0.10 0.01 0.01 0.07 0.40 -0.25 0.22 0.04 -0.04 0.19 -0.37 0.20 0.00 -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 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.01 0.01 -0.03 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 0.05 -0.09 0.05 0.04 0.38 0.18 -0.12 0.14 -0.13 -0.15 -0.31 -0.34 -0.07 0.02 -0.10 -0.06 0.05 -0.15 -0.06 0.00 -0.15 0.05 0.07 0.08 0.04 -0.40 0.03 -0.14 0.40 -0.21 -0.12 -0.09 -0.16 0.01 -0.01 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 0.03 0.01 -0.02 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 0.09 0.03 -0.05 -0.10 0.11 0.35 -0.16 -0.36 -0.30 -0.20 0.15 0.19 0.02 -0.00 0.01 -0.02 -0.03 0.05 -0.02 0.01 0.05 0.09 -0.01 -0.06 -0.10 -0.21 0.28 -0.20 -0.21 0.13 -0.15 0.44 -0.16 -0.10 -0.01 0.04 -0.02 -0.01 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 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.02 0.00 0.00 -0.00 0.02 0.01 -0.01 0.02 -0.01 -0.00 -0.01 -0.01 -0.00 -0.06 0.01 0.00 0.00 0.29 0.32 0.70 0.09 -0.08 0.14 -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 -0.03 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.01 -0.00 0.02 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -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 -0.00 -0.06 0.00 0.31 0.58 -0.20 0.17 -0.13 0.35 -0.42 0.39 -0.18 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 0.00 0.01 0.00 -0.01 -0.03 0.01 0.00 -0.04 -0.01 -0.03 -0.02 -0.01 0.00 -0.01 0.00 -0.02 0.03 0.01 -0.03 0.02 -0.01 -0.00 0.03 -0.02 -0.01 -0.00 0.00 0.03 0.01 -0.02 0.03 -0.01 -0.02 0.03 0.00 -0.00 -0.01 -0.00 -0.10 -0.12 0.07 0.53 0.08 -0.18 0.54 0.20 0.15 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 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 0.02 -0.13 -0.04 0.06 0.02 -0.09 -0.15 0.07 -0.20 -0.16 -0.20 -0.16 -0.00 -0.11 -0.02 -0.33 0.17 -0.33 0.33 0.04 0.36 -0.02 -0.13 -0.01 -0.06 -0.02 0.10 0.16 -0.24 0.08 0.16 -0.00 0.22 0.00 0.34 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 -0.00 0.00 0.00 0.00 -0.00 -0.00 -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 -0.03 0.04 0.08 0.21 -0.07 -0.11 0.22 -0.09 -0.02 0.03 0.12 0.01 0.00 -0.00 0.16 -0.37 0.43 0.17 0.20 0.53 0.01 0.01 0.04 0.09 -0.17 -0.14 -0.02 -0.07 0.10 -0.11 -0.18 -0.16 -0.05 0.02 -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 -0.01 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 -0.07 -0.06 -0.07 0.34 0.17 0.15 0.34 0.13 0.05 0.17 0.38 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.01 -0.01 -0.00 0.01 -0.09 0.03 0.08 0.39 -0.05 -0.05 0.30 -0.30 -0.16 0.37 -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 0.03 0.01 -0.01 -0.10 -0.36 0.16 0.07 0.30 0.05 -0.47 0.00 0.01 -0.00 0.00 0.00 0.02 -0.00 0.01 -0.01 0.00 -0.01 -0.03 0.01 0.01 0.10 -0.30 -0.28 0.49 -0.00 -0.00 -0.07 0.30 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 -0.00 -0.00 -0.00 -0.00 0.00 0.00 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 0.02 -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 0.03 0.06 0.08 0.12 -0.38 -0.21 -0.24 -0.06 -0.22 -0.28 -0.14 -0.27 0.03 -0.01 0.05 -0.02 0.07 -0.04 -0.02 -0.05 -0.06 0.03 -0.08 0.05 0.15 0.42 -0.10 -0.27 0.19 -0.17 -0.27 0.12 -0.21 -0.03 0.01 -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 0.00 -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 -0.00 -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 -0.02 0.02 0.03 0.11 0.23 -0.19 -0.11 -0.42 -0.08 0.44 -0.06 -0.14 -0.00 0.00 -0.00 0.01 -0.02 0.02 0.01 0.01 0.03 -0.02 -0.03 0.02 0.12 -0.14 -0.27 0.42 0.09 -0.10 -0.12 0.41 0.04 -0.02 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 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 -0.00 -0.00 -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 0.04 0.17 -0.06 -0.31 -0.27 0.15 -0.26 -0.10 0.08 0.16 -0.01 0.01 -0.01 0.06 -0.08 0.09 -0.02 0.03 0.04 -0.01 -0.01 -0.03 -0.22 -0.10 0.38 0.08 0.26 -0.27 0.33 0.14 0.40 0.00 -0.04 -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 0.01 -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 -0.04 0.01 0.18 0.19 -0.31 -0.26 0.25 -0.26 0.02 0.16 0.37 0.04 -0.01 0.07 -0.08 0.26 -0.24 -0.10 -0.17 -0.33 -0.00 0.04 0.01 0.08 -0.14 -0.19 0.06 -0.19 0.20 -0.10 -0.11 -0.16 -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 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 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 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.03 0.13 -0.22 -0.35 -0.22 0.03 -0.25 -0.08 0.13 0.21 -0.11 0.03 -0.17 0.05 -0.27 0.15 0.05 0.20 0.23 -0.01 0.01 -0.03 0.13 0.32 -0.24 -0.08 -0.19 0.15 -0.21 0.06 -0.23 0.12 -0.04 0.21 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.02 -0.13 -0.01 0.00 0.01 0.02 -0.03 0.02 0.00 -0.00 0.00 -0.05 -0.02 -0.17 0.03 0.04 0.01 -0.01 -0.00 0.02 0.01 -0.00 -0.01 -0.17 0.46 -0.11 -0.14 -0.29 -0.20 0.10 -0.13 0.72 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.07 -0.39 -0.02 0.00 0.01 0.00 -0.01 0.01 -0.01 -0.00 -0.03 0.27 0.07 0.84 0.02 0.03 -0.01 -0.04 -0.00 0.01 0.00 -0.00 0.01 -0.06 0.17 -0.04 -0.05 -0.11 -0.07 -0.01 0.01 -0.05 -0.00 0.00 -0.00 0.02 -0.00 0.00 0.00 -0.02 -0.01 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.03 0.09 0.48 -0.04 0.00 0.00 0.06 -0.09 0.06 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 0.04 0.00 -0.04 -0.00 0.03 0.01 -0.01 0.03 -0.20 0.54 -0.11 -0.13 -0.30 -0.19 -0.07 0.09 -0.49 -0.00 -0.00 0.00 0.03 -0.01 0.01 -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 0.00 0.00 -0.00 -0.00 -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 -0.03 -0.04 0.13 0.73 -0.15 0.01 0.03 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 0.12 0.03 0.40 0.06 0.08 0.01 0.02 -0.00 -0.02 -0.01 0.01 -0.02 0.09 -0.24 0.05 0.01 0.02 0.01 0.06 -0.07 0.40 -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 -0.02 -0.01 0.01 -0.01 0.02 0.10 0.70 -0.05 -0.19 -0.20 0.29 -0.20 0.00 -0.01 -0.01 0.01 -0.00 0.02 0.20 0.28 0.03 -0.34 0.00 0.25 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.03 -0.02 0.00 -0.00 0.02 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.01 -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 0.02 -0.00 0.00 0.01 -0.03 -0.14 -0.45 0.03 0.13 -0.01 0.02 -0.02 -0.01 -0.02 -0.00 -0.04 -0.02 -0.12 0.40 0.57 0.07 -0.18 -0.01 0.13 0.00 0.02 0.01 0.10 -0.25 0.06 -0.12 -0.26 -0.18 -0.01 0.02 -0.10 -0.00 0.00 0.00 -0.02 0.01 -0.00 0.00 -0.03 -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 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 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 0.07 -0.01 -0.01 -0.27 0.39 -0.28 -0.01 0.00 0.01 -0.00 -0.00 0.01 -0.08 -0.12 -0.01 0.46 -0.01 -0.35 0.01 0.02 0.01 0.07 -0.19 0.05 -0.19 -0.41 -0.27 -0.01 0.02 -0.06 0.00 -0.00 0.00 0.02 -0.01 0.00 -0.00 0.02 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 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 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 0.01 0.01 -0.00 0.03 -0.37 0.02 0.11 -0.33 0.48 -0.34 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.06 0.09 0.01 0.01 -0.00 -0.01 -0.00 -0.03 -0.01 -0.13 0.36 -0.08 0.17 0.37 0.25 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -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 0.01 -0.00 -0.00 0.00 -0.01 0.25 -0.01 -0.07 0.12 -0.18 0.13 -0.03 -0.02 0.01 -0.01 -0.00 0.02 0.33 0.48 0.06 0.52 -0.01 -0.40 -0.00 -0.01 -0.00 -0.05 0.14 -0.03 0.10 0.21 0.14 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.01 -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 -0.01 -0.01 -0.02 -0.00 0.01 0.01 -0.02 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.01 0.02 0.01 -0.02 0.00 0.01 -0.00 0.00 -0.00 0.01 -0.02 0.01 0.01 0.01 0.01 0.01 0.00 -0.00 -0.01 0.00 -0.04 0.55 -0.23 0.13 -0.04 0.54 0.15 -0.41 -0.31 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 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.02 0.01 0.00 0.00 0.01 0.01 -0.01 0.02 -0.09 0.04 0.01 0.70 -0.30 0.17 0.02 -0.43 -0.12 0.30 0.24 -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 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 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 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.01 0.02 0.01 0.02 0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.04 -0.09 0.01 0.01 -0.02 0.00 -0.06 0.66 0.20 0.53 0.39 -0.28 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -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 0.17 -0.02 0.08 -0.24 -0.01 0.23 -0.00 0.13 -0.07 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.02 -0.03 0.04 -0.34 0.03 -0.17 0.00 0.21 0.24 0.55 0.16 -0.50 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 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 0.04 -0.35 0.03 -0.17 0.55 0.01 -0.53 0.00 -0.28 0.16 -0.00 -0.00 0.00 -0.00 -0.02 -0.01 -0.00 0.02 -0.01 -0.01 -0.01 0.02 -0.14 0.01 -0.07 0.00 0.09 0.10 0.25 0.08 -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 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.05 -0.01 0.01 0.43 -0.05 0.22 0.21 0.00 -0.22 -0.01 0.18 -0.10 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.07 0.01 0.01 0.55 -0.04 0.30 -0.02 -0.18 -0.21 0.28 0.09 -0.26 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.07 -0.02 0.01 0.55 -0.07 0.28 0.30 0.01 -0.30 -0.02 0.23 -0.12 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.05 -0.01 -0.01 -0.41 0.03 -0.22 0.02 0.14 0.16 -0.23 -0.07 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 0.01 0.00 0.01 -0.02 0.00 0.02 0.00 0.00 0.00 0.01 -0.01 0.06 -0.01 -0.53 -0.46 -0.01 0.66 -0.25 -0.00 0.00 -0.00 0.01 -0.00 0.01 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 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.03 0.02 -0.15 0.02 -0.07 0.04 -0.00 -0.03 -0.01 0.29 -0.16 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.01 -0.03 -0.04 -0.07 0.38 -0.03 0.19 0.02 0.53 0.61 -0.09 -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 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.03 -0.06 0.05 -0.37 0.04 -0.18 0.09 -0.01 -0.07 -0.02 0.71 -0.39 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.01 0.02 0.03 -0.15 0.01 -0.07 -0.01 -0.22 -0.25 0.04 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 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 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 -0.10 -0.02 0.00 0.53 0.47 0.00 0.65 -0.26 -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 7 14 1 1 1 14 1 1 1 14 1 1 1 5 1 1 1 6 1 1 1 6 1 1 6 1 1 1 7 298.150 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 7 14 1 1 1 14 1 1 1 14 1 1 1 5 1 1 1 6 1 1 1 6 1 1 6 1 1 1 7 14.00307 27.97693 1.00783 1.00783 1.00783 27.97693 1.00783 1.00783 1.00783 27.97693 1.00783 1.00783 1.00783 11.00931 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 14.00307 179.10274 1152.75743 4378.51458 4725.16260 0.99999 -0.00111 0.00482 0.00108 0.99999 0.00509 -0.00482 -0.00509 0.99998 asymmetric 1 0.07514 0.01978 0.01833 1.56559 0.41218 0.38194 593166.7 25.62 68.84 81.97 125.65 151.22 212.80 234.95 252.97 260.66 276.53 286.77 311.93 363.95 374.74 399.73 406.59 430.91 466.13 620.50 660.43 671.75 810.75 850.73 917.96 937.16 967.38 1079.03 1115.21 1157.01 1234.54 1249.24 1267.76 1273.42 1293.26 1320.09 1327.54 1337.83 1357.63 1367.06 1396.21 1407.04 1424.19 1459.77 1497.80 1560.30 1566.56 1597.38 1640.92 1674.51 1685.55 1691.37 1737.38 1967.41 2037.14 2070.83 2097.32 2102.86 2115.39 2133.53 2138.92 2240.66 3222.95 3240.14 3247.33 3256.39 3267.26 3272.37 3279.53 3285.53 3286.84 3465.20 3558.64 3567.20 4340.44 4345.26 4477.85 4482.97 4497.15 4562.22 4564.25 4672.31 0.225925 0.242322 0.243266 0.181168 -1128.383741 -1128.367345 -1128.366400 -1128.428499 152.059 59.770 130.697 0.000 0.000 1.377 0.889 2.981 41.455 0.889 2.981 31.545 150.282 53.809 56.319 1 0.593 1.986 6.865 2 0.595 1.978 4.904 3 0.596 1.975 4.560 4 0.601 1.958 3.719 5 0.605 1.945 3.357 6 0.617 1.905 2.699 7 0.623 1.887 2.511 8 0.628 1.872 2.372 9 0.630 1.865 2.316 10 0.634 1.851 2.207 11 0.637 1.841 2.139 12 0.646 1.815 1.986 13 0.664 1.758 1.710 14 0.669 1.745 1.659 15 0.679 1.715 1.547 16 0.682 1.706 1.518 17 0.692 1.675 1.420 18 0.709 1.627 1.290 19 0.792 1.402 0.855 20 0.817 1.341 0.769 21 0.824 1.324 0.746 22 0.919 1.110 0.517 23 0.949 1.050 0.465 0.466156e-83 -83.331469 -191.877799 0.386227e+21 20.586843 47.402958 0.141517e-97 -97.849193 -225.306093 1 0.116351e+02 1.065772 2.454030 2 0.432123e+01 0.635607 1.463539 3 0.362609e+01 0.559438 1.288154 4 0.235532e+01 0.372050 0.856677 5 0.195069e+01 0.290189 0.668185 6 0.137176e+01 0.137278 0.316095 7 0.123672e+01 0.092272 0.212464 8 0.114399e+01 0.058422 0.134522 9 0.110818e+01 0.044612 0.102723 10 0.104050e+01 0.017241 0.039699 11 0.100067e+01 0.000289 0.000667 12 0.913571e+00 -0.039257 -0.090394 13 0.770464e+00 -0.113248 -0.260762 14 0.745557e+00 -0.127519 -0.293624 15 0.692821e+00 -0.159379 -0.366983 16 0.679407e+00 -0.167870 -0.386535 17 0.635158e+00 -0.197118 -0.453882 18 0.578852e+00 -0.237432 -0.546708 19 0.403609e+00 -0.394039 -0.907308 20 0.370847e+00 -0.430805 -0.991964 21 0.362218e+00 -0.441030 -1.015510 22 0.274876e+00 -0.560863 -1.291434 23 0.254794e+00 -0.593810 -1.367298 0.117252e+07 6.069120 13.974664 1 0.121459e+02 1.084429 2.496990 2 0.485006e+01 0.685747 1.578991 3 0.416040e+01 0.619135 1.425610 4 0.290781e+01 0.463566 1.067400 5 0.251375e+01 0.400323 0.921778 6 0.196004e+01 0.292266 0.672967 7 0.183397e+01 0.263393 0.606484 8 0.174848e+01 0.242662 0.558749 9 0.171576e+01 0.234456 0.539856 10 0.165440e+01 0.218640 0.503437 11 0.161863e+01 0.209148 0.481580 12 0.154145e+01 0.187929 0.432722 13 0.141849e+01 0.151825 0.349589 14 0.139769e+01 0.145412 0.334824 15 0.135440e+01 0.131747 0.303359 16 0.134356e+01 0.128257 0.295323 17 0.130835e+01 0.116723 0.268765 18 0.126490e+01 0.102056 0.234992 19 0.114257e+01 0.057884 0.133283 20 0.112252e+01 0.050193 0.115574 21 0.111742e+01 0.048215 0.111018 22 0.107058e+01 0.029617 0.068197 23 0.106118e+01 0.025788 0.059379 0.200000e+01 0.301030 0.693147 0.942122e+08 7.974107 18.361060 0.174818e+07 6.242586 14.374086 coments ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -4.0782 0.1824 2.6587 4.8717 -74.8139 -82.0506 -95.6239 -0.3876 7.6402 0.0759 9.3489 2.1122 -11.4611 -0.3876 7.6402 0.0759 -72.8725 0.8979 25.0463 -16.6021 1.4584 -3.6732 -33.1201 0.4049 6.5333 -1.8169 -3157.1622 -758.4557 -591.8376 -17.5192 108.0637 4.1366 -2.5309 40.0618 1.9292 -614.7384 -663.1551 -226.5998 4.9314 7.7585 -0.7424 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) 0 2-A -1128.6096667 0.752905 0. 0.750006 4.153E-9 5.658E-6 0.2259253 0.2423221 -1128.3673446 -1128.3664004 -1128.4284986 -6.3197598,-0.5123563,6.8321161,4.2437797,5.4877243,-1.5751237 C01 [X(C3H20B1N2Si3)] 0.8488277 -0.6600819 -1.5866402 -1.3544779 0.0319269 0.1190772 0.011186 -1.3566526 -0.0737728 -0.0051115 -0.0640558 -1.7290252 0.9750794 -0.0381514 -0.0581641 -0.0118883 1.5471363 -0.4974316 -0.0808021 -0.3839437 1.2308963 -0.2578459 0.0652171 -0.0060486 0.0352954 -0.299206 0.0582995 0.0119549 0.0343539 -0.2449045 -0.1838476 -0.010419 0.0102714 -0.0055127 -0.2353898 0.0328458 0.0135108 0.0386476 -0.2843605 -0.1963235 -0.0297225 0.0110101 -0.0255151 -0.2581869 0.0452621 -0.0017084 0.0069434 -0.2250878 1.3281387 0.317279 0.3738345 0.2526292 1.254927 0.3444 0.3357961 0.2788714 1.1850359 -0.3113377 -0.0188927 -0.0773205 0.0173953 -0.2426705 -0.0169139 -0.0553212 -0.0195489 -0.2511412 -0.218806 -0.0474601 -0.020757 -0.0455466 -0.2478059 -0.0294167 -0.006428 0.0044588 -0.2374705 -0.2016564 -0.0203937 -0.0140235 -0.0225551 -0.2175512 -0.0466645 -0.0277947 -0.0516959 -0.2586701 0.984859 -0.1520311 -0.651543 -0.0720092 0.8094212 0.4109764 -0.1888652 0.2898132 2.7834283 -0.1744258 -0.0064716 0.0960893 -0.0051419 -0.2076823 0.0012125 0.0042534 -0.0289487 -0.4197355 -0.1709734 0.0061368 0.072074 -0.0223239 -0.1921854 -0.0757043 0.0011292 -0.021759 -0.3998914 -0.2785984 0.023611 0.0165467 0.0209497 -0.1923254 -0.0424401 -0.0190523 -0.0201832 -0.4072406 0.5292354 -0.1083647 0.0010688 -0.0992894 0.3589063 0.0344764 -0.0026007 -0.0217416 0.339372 -0.2149634 0.0154223 -0.0569694 -0.0258967 -0.1393815 -0.1295964 -0.0748729 -0.0859579 -0.3492023 -0.1932874 -0.0506424 -0.0187639 -0.0128956 -0.3717827 -0.0180714 -0.0412277 0.0239422 -0.1102024 -0.2193335 0.0119419 0.1022636 0.0090613 -0.1676164 0.0828291 0.1364198 0.07469 -0.3023071 0.1203089 -0.1143173 -0.0643947 -0.1836751 0.3897415 -0.2304213 0.0496996 -0.0784939 0.4000821 0.0352404 0.0385436 -0.098993 0.0057844 0.0386542 -0.0209853 -0.0939939 0.0323245 -0.1136201 -0.0117961 0.0579259 0.0441173 0.0546489 -0.0179856 0.1000674 0.0853364 -0.0510011 -0.0243819 -0.0380406 -0.0867627 0.0317299 -0.0172413 -0.0092617 0.032052 -0.0144953 -0.0035529 0.0843135 0.2250011 0.0070631 0.5811508 -0.0409593 0.002696 -0.1891747 0.1232913 -0.0729751 -0.3497287 0.0326467 0.0111696 -0.0286904 0.0473029 -0.0643499 0.0179627 0.0200183 -0.0276134 0.1226718 -0.0135196 -0.0417136 -0.0182313 -0.0643034 -0.0061164 0.0289259 0.0523562 0.0448539 0.1119622 0.3182002 0.1671573 0.0205955 0.2524541 0.2630016 0.2491268 0.0312386 0.0648346 0.3302265 0.0071292 -0.0419109 -0.0756442 -0.0122807 0.0671887 0.0287877 -0.1045374 -0.0181239 -0.11272 0.0127992 0.0774176 0.0003529 0.0012253 -0.0633567 -0.0121709 -0.006445 0.0371539 0.0855396 -0.0571733 -0.0340576 0.0020437 -0.0152842 0.007749 -0.114976 0.1099826 -0.0015068 -0.0083737 -0.4722318 -0.0295007 -0.2926821 -0.025614 -0.4499149 0.030516 -0.2517309 0.0202142 -0.8454648 131.0204066|0.0418115|127.6423867|7.9064774|2.2817571|166.3825313 0.000019151 -0.000003232 0.000008063 -0.000001045 0.000010394 -0.000002459 -0.000001196 -0.000001381 -0.000001528 -0.000001283 -0.000001246 0.000001111 -0.000001460 -0.000002291 0.000003096 -0.000020957 0.000001261 -0.000007104 0.000001774 0.000001141 0.000000877 -0.000000003 0.000001581 0.000001752 0.000003497 -0.000002169 0.000003388 -0.000009138 -0.000009945 -0.000019600 0.000003342 0.000000960 0.000006191 0.000006945 0.000004936 0.000001770 0.000004220 -0.000002600 -0.000000749 -0.000002413 0.000000571 0.000009064 0.000000009 0.000001936 -0.000001383 -0.000000292 0.000000496 -0.000002301 -0.000001006 0.000000954 -0.000001093 0.000002022 0.000000577 -0.000001312 0.000002223 0.000002363 0.000001910 0.000001359 -0.000001001 -0.000000493 -0.000002939 -0.000002380 -0.000002123 0.000003364 -0.000001616 -0.000006917 0.000001531 0.000013370 -0.000001058 -0.000011371 -0.000011939 0.000001029 0.000000766 -0.000003661 -0.000002896 0.000000090 -0.000001987 0.000001292 -0.000003204 0.000005271 -0.000000413 0.000004191 -0.000000696 -0.000002180 0.000001820 0.000000334 0.000014068 159.11299999999997 AuxInfo=1/0/N:22,18,25,29;14,1,2,6,10/E:(2,3);(3,4,5)/CRV:1.3;1.4,2.4/rA:29nN4SiHHHSiHHHSiHHHB4HHHCHHHC3HHCHHHN/rB:s1;s2;s2;s2;s1;s6;s6;s6;s1;s10;s10;s10;s1;s14;s14;s14;;s18;s18;s18;;s22;s22;;s25;s25;s25;s18s22s25;/rC:1.7782,-.2123,-.3391;1.4474,-1.7006,.6108;2.6663,-2.5645,.5548;1.1927,-1.3162,2.0224;.3063,-2.4291,.0082;2.7568,1.0248,.5208;4.0175,.3709,.9883;3.0985,2.1012,-.4426;2.0083,1.5305,1.6959;2.3567,-.5519,-2.0779;1.4905,-1.7102,-2.4061;2.117,.7665,-2.7052;3.7964,-.8942,-1.8878;.2779,.5031,-.5173;-.2029,.0779,-1.5666;.4664,1.7175,-.5573;-.3912,.1743,.4606;1.4423,.5425,-5.6002;.9034,.5662,-6.5597;.7716,.9417,-4.8166;2.3172,1.2018,-5.6749;2.9978,-1.017,-4.5572;3.3196,-2.0601,-4.4719;3.7883,-.269,-4.6776;.827,-1.8097,-5.3278;.2866,-1.7706,-6.2859;1.2685,-2.8091,-5.2169;.0952,-1.6595,-4.512;1.8665,-.8071,-5.3075; Gaussian 16 19-Jun-2025 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 81 C1[X(C3H20BN2Si3)] 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 0 159.11299999999997 AuxInfo=1/0/N:22,18,25,29;14,1,2,6,10/E:(2,3);(3,4,5)/CRV:1.3;1.4,2.4/rA:29nN4SiHHHSiHHHSiHHHB4HHHCHHHC3HHCHHHN/rB:s1;s2;s2;s2;s1;s6;s6;s6;s1;s10;s10;s10;s1;s14;s14;s14;;s18;s18;s18;;s22;s22;;s25;s25;s25;s18s22s25;/rC:1.7782,-.2123,-.3391;1.4474,-1.7006,.6108;2.6663,-2.5645,.5548;1.1927,-1.3162,2.0224;.3063,-2.4291,.0082;2.7568,1.0248,.5208;4.0175,.3709,.9883;3.0985,2.1012,-.4426;2.0083,1.5305,1.6959;2.3567,-.5519,-2.0779;1.4905,-1.7102,-2.4061;2.117,.7665,-2.7052;3.7964,-.8942,-1.8878;.2779,.5031,-.5173;-.2029,.0779,-1.5666;.4664,1.7175,-.5573;-.3912,.1743,.4606;1.4423,.5425,-5.6002;.9034,.5662,-6.5597;.7716,.9417,-4.8166;2.3172,1.2018,-5.6749;2.9978,-1.017,-4.5572;3.3196,-2.0601,-4.4719;3.7883,-.269,-4.6776;.827,-1.8097,-5.3278;.2866,-1.7706,-6.2859;1.2685,-2.8091,-5.2169;.0952,-1.6595,-4.512;1.8665,-.8071,-5.3075; chk=NSiH3_BH3_p_TMA.chk Mem=12000MB 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 14 28 1 1 1 28 1 1 1 28 1 1 1 11 1 1 1 12 1 1 1 12 1 1 12 1 1 1 14 14.0030740 27.9769284 1.0078250 1.0078250 1.0078250 27.9769284 1.0078250 1.0078250 1.0078250 27.9769284 1.0078250 1.0078250 1.0078250 11.0093053 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 14.0030740 2 0 1 1 1 0 1 1 1 0 1 1 1 3 1 1 1 0 1 1 1 0 1 1 0 1 1 1 2 4.5500000 12.2500000 1.0000000 1.0000000 1.0000000 12.2500000 1.0000000 1.0000000 1.0000000 12.2500000 1.0000000 1.0000000 1.0000000 2.7500000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 4.5500000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "NSiH3_BH3_p_TMA.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 660 A 592 A 592 853 660 50 49 747.7057944790 29 29 29 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 -0.0220532649 0.000000 1.796378 0.000000 2.668507 1.495051 0.000000 2.671753 1.485034 2.425610 0.000000 2.683572 1.481838 2.426222 2.466033 0.000000 1.796454 3.024936 3.590596 3.190767 4.265753 0.000000 2.667689 3.322556 3.260451 3.448962 4.751186 1.495202 0.000000 2.665652 4.276588 4.790644 4.624536 5.340667 1.484437 2.426065 0.000000 2.689147 3.454328 4.301682 2.979186 4.628581 1.482145 2.425385 2.467219 0.000000 1.863671 3.061918 3.328305 4.330282 3.475604 3.065792 3.607087 3.203601 4.324251 0.000000 2.568908 3.017244 3.298437 4.455997 2.783519 4.201288 4.715858 4.579086 5.253314 1.483222 0.000000 2.582845 4.186979 4.693122 5.248057 4.566491 3.298996 4.172606 2.804328 4.468245 1.479604 2.572185 0.000000 2.633766 3.522983 3.167617 4.716717 4.258139 3.250394 3.149829 3.398258 4.681867 1.491988 2.500412 2.499360 0.000000 1.671652 2.737945 4.032841 3.255200 2.979007 2.737611 4.033487 3.242724 2.991317 2.805360 3.152278 2.870306 4.026289 0.000000 2.348612 3.259993 4.440170 4.095378 3.004023 3.743512 4.942253 4.031968 4.200449 2.685145 2.601864 2.674433 4.128345 1.230106 0.000000 2.343629 3.743061 4.940885 4.047942 4.188084 2.624498 4.100341 2.662364 2.736660 3.322008 4.026960 2.870919 4.436282 1.229672 2.038452 0.000000 2.344220 2.630217 4.105839 2.677554 2.732885 3.261376 4.444550 4.087373 3.020426 3.810813 3.912816 4.082147 4.918643 1.229637 2.038214 2.037983 0.000000 5.325509 6.603588 7.002550 7.849865 6.447825 6.279082 7.075943 5.636763 7.384364 3.800063 3.908824 2.980951 4.624679 5.214712 4.380890 5.269083 6.342716 0.000000 6.329880 7.539949 7.970351 8.790914 7.243358 7.333447 8.167531 6.677871 8.384857 4.842474 4.772771 4.046001 5.685894 6.075088 5.137486 6.127423 7.149451 1.100791 0.000000 4.732105 6.074138 6.688487 7.214390 5.904038 5.695247 6.675221 5.088296 6.654969 3.499172 3.655129 2.509702 4.593255 4.349780 3.501220 4.340109 5.458028 1.105947 1.787966 0.000000 5.546177 6.977799 7.288068 8.176328 7.037318 6.213789 6.926699 5.366212 7.384543 4.001907 4.455078 3.008053 4.574172 5.589967 4.948933 5.466314 6.784907 1.098012 1.784830 1.786883 0.000000 4.464001 5.438700 5.351456 6.829305 5.484622 5.478463 5.806809 5.163658 6.824251 2.602780 2.716568 2.717829 2.789044 5.101915 4.515191 5.466676 6.171116 2.437029 3.301949 2.976475 2.575858 0.000000 4.782277 5.428447 5.094036 6.874084 5.411769 5.895803 6.017509 5.796587 7.256289 2.988840 2.781281 3.543627 2.874727 5.609010 5.041822 6.142900 6.564446 3.401614 4.134609 3.952484 3.618268 1.094999 0.000000 4.781846 5.957905 5.822978 7.261127 6.224720 5.455416 5.706522 4.901917 6.857699 2.981282 3.537918 2.784941 2.859011 5.497944 5.072334 5.653123 6.638204 2.648260 3.544365 3.253510 2.306879 1.094979 1.862854 0.000000 5.323847 5.971859 6.209476 7.375786 5.396951 6.779707 7.404545 6.657322 7.866673 3.805806 2.997664 3.895999 4.635629 5.365768 4.332435 5.943802 6.239015 2.446599 2.677485 2.799090 3.377912 2.436064 2.647346 3.400890 0.000000 6.325963 6.994058 7.286236 8.369928 6.328493 7.761930 8.451044 7.552612 8.807432 4.845466 4.062723 4.754845 5.694780 6.200557 5.091966 6.709401 7.053877 2.675127 2.432330 3.122617 3.651241 3.302543 3.545982 4.135653 1.100752 0.000000 5.549444 5.934896 5.943651 7.392055 5.326546 7.059403 7.494954 7.088989 8.195520 4.016579 3.026103 4.451217 4.597855 5.834241 4.881004 6.545640 6.624884 3.377876 3.650903 3.804670 4.170869 2.576271 2.307212 3.618355 1.098104 1.784745 0.000000 4.726550 5.298423 5.753474 6.634848 4.590132 6.294345 7.054120 6.302599 7.237026 3.502348 2.526670 3.638340 4.601208 4.546249 3.432623 5.213641 5.322262 2.801324 3.130525 2.704941 3.804740 2.973123 3.249417 3.949645 1.106081 1.787616 1.787403 0.000000 5.004619 5.999980 6.172090 7.378364 5.772465 6.173935 6.756570 5.800272 7.384568 3.276558 3.061824 3.051362 3.927620 5.214068 4.365771 5.558616 6.271451 1.444698 2.093305 2.120908 2.091340 1.373521 2.092763 2.092737 1.444397 2.093289 2.091311 2.120547 0.000000 C3H20BN2Si3(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 0 159.11299999999997 AuxInfo=1/0/N:22,18,25,29;14,1,2,6,10/E:(2,3);(3,4,5)/CRV:1.3;1.4,2.4/rA:29nN4SiHHHSiHHHSiHHHB4HHHCHHHC3HHCHHHN/rB:s1;s2;s2;s2;s1;s6;s6;s6;s1;s10;s10;s10;s1;s14;s14;s14;;s18;s18;s18;;s22;s22;;s25;s25;s25;s18s22s25;/rC:1.6332,.0023,-.1641;2.4158,1.5869,.1575;2.3295,1.8549,1.6258;3.8457,1.4984,-.2336;1.6939,2.6535,-.5753;2.6539,-1.4282,.2087;3.1105,-1.3106,1.6276;1.8176,-2.6467,.069;3.8385,-1.4469,-.6819;-.103,-.1196,.5023;-.5823,1.2509,.1989;-.6073,-1.2787,-.2666;.1166,-.3877,1.9535;1.4596,-.04,-1.8262;.3529,.4301,-2.0861;1.548,-1.2195,-2.1623;2.3693,.6408,-2.2962;-3.5374,-1.1098,-.7877;-4.5131,-1.0114,-1.2878;-2.7491,-1.107,-1.5634;-3.5075,-2.0767,-.2683;-2.585,-.2343,1.2776;-2.5887,.5834,2.0058;-2.5955,-1.2513,1.6833;-3.5263,1.2998,-.3641;-4.4991,1.3851,-.872;-3.4949,2.0311,.4546;-2.7332,1.5564,-1.0912;-3.3607,-.0353,.1617; 1.5655863 0.4121812 0.3819427 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= 657 657 657 657 657 MxSgAt= 29 MxSgA2= 29. 1 open 1 1 1 -1128.98523707103 -1129.09353752956 -0.108300458523 -1129.20667839144 -0.113140861887 -1129.20686605690 -0.000187665455 -1129.20693606442 -0.000070007517 -1129.20694772893 -0.000011664511 -1129.20694811899 -0.000000390059 -1129.20694819286 -0.000000073877 -1129.20694820282 -0.000000009960 -1129.20694820544 -0.000000002614 -1129.20694820582 -0.000000000388 -1129.20694820587 -0.000000000048 -1129.20694820585 0.000000000025 -1129.20694821 13 0.7538 1.125438755887e+03 -4.166534619587e+03 1.164205174281e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1571978368 LenY= 1571542108 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. 0.7538 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 N Si H H H Si H H H Si H H H B H H H C H H H C H H C H H H N 14 29 1 1 1 29 1 1 1 29 1 1 1 11 1 1 1 13 1 1 1 13 1 1 13 1 1 1 14 0.03458 -0.00025 0.00002 -0.00003 0.00003 -0.00017 0.00001 0.00002 -0.00003 -0.00390 0.00543 0.00553 0.00419 0.00016 0.00000 0.00004 -0.00000 -0.00906 0.00324 0.00858 0.00082 0.06731 -0.00039 -0.00043 -0.00901 0.00317 0.00085 0.00856 0.04964 11.17205 0.21893 0.08524 -0.15543 0.12373 0.15365 0.02444 0.08016 -0.14853 3.47033 24.26544 24.71132 18.74391 0.22388 0.00225 0.17373 -0.01783 -10.18362 14.49135 38.36127 3.65127 75.66661 -1.72202 -1.91012 -10.12436 14.16239 3.80602 38.25506 16.03895 3.98646 0.07812 0.03041 -0.05546 0.04415 0.05483 0.00872 0.02860 -0.05300 1.23830 8.65851 8.81761 6.68829 0.07988 0.00080 0.06199 -0.00636 -3.63377 5.17087 13.68826 1.30286 26.99973 -0.61446 -0.68158 -3.61262 5.05349 1.35808 13.65036 5.72310 3.72659 0.07303 0.02843 -0.05185 0.04127 0.05125 0.00815 0.02674 -0.04954 1.15758 8.09408 8.24281 6.25230 0.07468 0.00075 0.05795 -0.00595 -3.39689 4.83379 12.79594 1.21793 25.23966 -0.57440 -0.63715 -3.37712 4.72407 1.26955 12.76052 5.35002 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 0.027687 -0.000164 0.001393 0.001029 0.000820 -0.000484 0.001538 0.001316 0.000997 0.068828 0.004495 0.004272 0.010033 0.000877 0.000409 0.000551 0.000645 -0.007202 -0.000967 -0.005056 -0.004392 0.537696 -0.006606 -0.006699 -0.007304 -0.001084 -0.004446 -0.005068 0.721738 -0.020702 0.002154 -0.000459 -0.000353 0.000136 0.002940 -0.000795 0.000023 -0.000428 -0.042084 0.000979 -0.002765 -0.007795 -0.002020 -0.002050 -0.000946 -0.000896 0.003129 -0.002560 -0.002073 0.007951 -0.326975 0.008690 0.033192 0.012761 0.001874 0.011005 0.003123 -0.444681 -0.006985 -0.001990 -0.000933 -0.000676 -0.000955 -0.002456 -0.000743 -0.001339 -0.000570 -0.026744 -0.005475 -0.001507 -0.002238 0.001143 0.001642 0.000395 0.000251 0.004073 0.003526 0.007130 -0.003559 -0.210722 -0.002085 -0.026493 -0.005457 -0.000790 -0.006560 0.001946 -0.277056 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 0.003078 0.001725 0.001389 0.000577 0.001433 -0.001290 -0.000692 -0.001692 -0.000497 0.004265 0.006373 -0.004320 -0.001176 0.000090 0.000381 -0.000532 0.000362 0.000094 0.004551 -0.000176 0.003569 0.052782 0.008640 -0.004318 -0.001487 -0.006558 -0.004031 0.000403 0.072942 -0.025605 -0.000187 0.000469 -0.000297 -0.000650 -0.000238 0.000444 -0.000465 -0.000484 -0.041434 -0.004475 -0.006090 0.004901 -0.001429 -0.002499 -0.001521 -0.001079 0.004152 0.006792 -0.000479 0.002254 -0.319312 -0.010322 -0.012887 0.003889 0.004774 0.000896 -0.000413 -0.445252 -0.001664 0.001875 0.000315 -0.000033 -0.000653 -0.001947 -0.000133 0.000354 0.000073 -0.001673 -0.004725 0.005807 -0.001039 -0.000178 -0.000721 0.000585 -0.000313 0.014656 0.005659 0.006369 0.006744 -0.019793 0.040093 -0.027227 -0.011527 -0.006355 -0.001483 -0.007856 -0.028254 -0.0104 0.995 0.0998 0.4712 -0.0831 0.8781 0.8819 0.0562 -0.468 -0.0209 -0.0206 0.0415 -0.806 -0.793 1.599 -0.288 -0.283 0.571 -0.269 -0.265 0.534 1 N 14 0.3127 -0.4171 0.8534 0.8646 -0.247 -0.4375 0.3933 0.8747 0.2834 -0.003 -6.0E-4 0.0035 0.316 0.06 -0.375 0.113 0.021 -0.134 0.105 0.02 -0.125 2 Si 29 -0.4099 0.8669 -0.2837 -0.284 0.1743 0.9428 0.8668 0.4671 0.1747 -0.0012 -0.001 0.0022 -0.651 -0.542 1.193 -0.232 -0.193 0.426 -0.217 -0.181 0.398 3 H 1 0.2486 -0.288 0.9248 -0.2643 0.8984 0.3508 0.9319 0.3316 -0.1472 -7.0E-4 -5.0E-4 0.0013 -0.398 -0.286 0.684 -0.142 -0.102 0.244 -0.133 -0.095 0.228 4 H 1 -0.029 0.4475 0.8938 0.6628 -0.6607 0.3523 0.7482 0.6027 -0.2774 -0.0013 -0.001 0.0022 -0.673 -0.509 1.182 -0.24 -0.182 0.422 -0.224 -0.17 0.394 5 H 1 0.2365 0.3367 0.9114 0.9365 0.1709 -0.3062 -0.2588 0.926 -0.2749 -0.0032 -6.0E-4 0.0039 0.343 0.068 -0.411 0.123 0.024 -0.147 0.115 0.023 -0.137 6 Si 29 0.2536 0.9652 0.0633 -0.1889 -0.0148 0.9819 0.9487 -0.261 0.1786 -0.001 -8.0E-4 0.0018 -0.526 -0.441 0.967 -0.188 -0.157 0.345 -0.175 -0.147 0.323 7 H 1 0.0655 -0.164 0.9843 0.5771 0.8109 0.0966 0.814 -0.5617 -0.1478 -0.0014 -0.0011 0.0026 -0.762 -0.608 1.37 -0.272 -0.217 0.489 -0.254 -0.203 0.457 8 H 1 0.3455 0.357 0.8679 0.1528 0.8911 -0.4274 0.9259 -0.2803 -0.2533 -7.0E-4 -5.0E-4 0.0013 -0.391 -0.292 0.683 -0.139 -0.104 0.244 -0.13 -0.097 0.228 9 H 1 0.1835 0.7978 0.5743 0.2995 -0.6018 0.7404 0.9363 0.0362 -0.3494 -0.0423 -0.0421 0.0845 4.488 4.471 -8.959 1.601 1.595 -3.197 1.497 1.491 -2.989 10 Si 29 0.1303 0.3843 0.914 -0.6702 0.7135 -0.2044 0.7306 0.5859 -0.3505 -0.0081 -0.0037 0.0118 -4.321 -1.949 6.271 -1.542 -0.696 2.237 -1.441 -0.65 2.092 11 H 1 0.1102 -0.6915 0.7139 0.6841 0.5738 0.4502 0.721 -0.4388 -0.5363 -0.0081 -0.0034 0.0114 -4.307 -1.792 6.099 -1.537 -0.639 2.176 -1.437 -0.598 2.034 12 H 1 0.0207 0.9868 0.1606 -0.3398 -0.1442 0.9294 0.9403 -0.0738 0.3324 -0.008 -0.0039 0.0119 -4.262 -2.064 6.327 -1.521 -0.737 2.257 -1.422 -0.689 2.11 13 H 1 -0.0044 0.9985 0.0539 0.7402 -0.033 0.6715 -0.6723 -0.0429 0.739 -0.002 -4.0E-4 0.0025 -0.348 -0.073 0.42 -0.124 -0.026 0.15 -0.116 -0.024 0.14 14 B 11 0.0877 0.9671 0.2389 0.7893 -0.2138 0.5756 -0.6078 -0.1381 0.782 -0.0022 -0.0015 0.0037 -1.17 -0.81 1.98 -0.418 -0.289 0.707 -0.39 -0.27 0.66 15 H 1 -0.1329 0.8791 -0.4578 0.7015 0.4097 0.5831 0.7001 -0.2437 -0.6711 -0.0012 -0.001 0.0022 -0.624 -0.546 1.171 -0.223 -0.195 0.418 -0.208 -0.182 0.39 16 H 1 -0.1266 0.9823 0.1382 0.6444 -0.0245 0.7643 0.7541 0.1859 -0.6299 -0.001 -6.0E-4 0.0016 -0.527 -0.346 0.873 -0.188 -0.124 0.311 -0.176 -0.115 0.291 17 H 1 -0.4823 -0.5953 0.6427 0.868 -0.4239 0.2588 0.1184 0.6826 0.7211 -0.0126 -0.006 0.0186 -1.693 -0.806 2.5 -0.604 -0.288 0.892 -0.565 -0.269 0.834 18 C 13 -0.6612 0.7498 0.025 -0.529 -0.4896 0.6932 0.532 0.4451 0.7204 -0.0064 -0.0057 0.012 -3.406 -3.017 6.423 -1.215 -1.076 2.292 -1.136 -1.006 2.143 19 H 1 -0.2192 0.8655 -0.4504 0.9751 0.2098 -0.0713 -0.0327 0.4548 0.89 -0.0053 -0.0051 0.0104 -2.851 -2.699 5.55 -1.017 -0.963 1.98 -0.951 -0.9 1.851 20 H 1 -0.3433 -0.3192 0.8833 0.9065 -0.3588 0.2226 0.2458 0.8772 0.4125 -0.0069 -0.0053 0.0121 -3.667 -2.802 6.468 -1.308 -1.0 2.308 -1.223 -0.934 2.158 21 H 1 0.0061 0.9838 0.1791 0.35 -0.1699 0.9212 0.9367 0.0571 -0.3454 -0.3303 -0.3284 0.6586 -44.317 -44.066 88.383 -15.813 -15.724 31.537 -14.782 -14.699 29.481 22 C 13 0.3534 -0.615 0.7049 0.9355 0.2372 -0.262 -0.0061 0.752 0.6591 -0.0422 -0.0015 0.0438 -22.534 -0.813 23.347 -8.041 -0.29 8.331 -7.516 -0.271 7.788 23 H 1 0.3569 0.3352 0.8719 0.934 -0.1412 -0.3281 0.0131 0.9315 -0.3634 -0.0422 -0.0015 0.0438 -22.535 -0.811 23.345 -8.041 -0.289 8.33 -7.517 -0.27 7.787 24 H 1 -0.4912 0.3358 0.8037 0.8631 0.3117 0.3973 -0.1171 0.8889 -0.443 -0.0127 -0.0061 0.0187 -1.698 -0.812 2.51 -0.606 -0.29 0.895 -0.566 -0.271 0.837 25 C 13 0.6568 0.712 0.2481 -0.5407 0.2155 0.8131 -0.5255 0.6683 -0.5266 -0.0064 -0.0056 0.012 -3.41 -3.014 6.423 -1.217 -1.075 2.292 -1.137 -1.005 2.143 26 H 1 -0.3439 3.0E-4 0.939 0.9079 0.2554 0.3324 -0.2397 0.9668 -0.0881 -0.0069 -0.0053 0.0121 -3.675 -2.802 6.477 -1.311 -1.0 2.311 -1.226 -0.935 2.161 27 H 1 0.1124 0.6729 0.7312 0.993 -0.1036 -0.0573 0.0371 0.7325 -0.6798 -0.0053 -0.0051 0.0104 -2.853 -2.714 5.567 -1.018 -0.968 1.986 -0.952 -0.905 1.857 28 H 1 PT2756S 2025-06-19T13:16:24.000 -66.27874 -66.27737 -66.27709 -14.49051 -14.44727 -10.33126 -10.33049 -10.32124 -6.78893 -5.40256 -5.40229 -5.40171 -3.74760 -3.74750 -3.74725 -3.74595 -3.74569 -3.74560 -3.74531 -3.74501 -3.74434 -1.07722 -0.95970 -0.83952 -0.83321 -0.70418 -0.65410 -0.65229 -0.61565 -0.59758 -0.59473 -0.58601 -0.57115 -0.50694 -0.49830 -0.49400 -0.48967 -0.48675 -0.48124 -0.45541 -0.43737 -0.43687 -0.42555 -0.42378 -0.41683 -0.40649 -0.39458 -0.35105 -0.35058 -0.25137 0.06172 0.08252 0.09340 0.09754 0.10190 0.11117 0.11609 0.13301 0.13606 0.14069 0.14578 0.14715 0.15025 0.15272 0.16075 0.16237 0.16460 0.17777 0.19041 0.19708 0.19931 0.20661 0.21229 0.21740 0.22166 0.22653 0.23187 0.23637 0.24244 0.25489 0.25737 0.26297 0.26471 0.26930 0.28427 0.29244 0.30426 0.30858 0.31594 0.31737 0.32265 0.32416 0.34503 0.34720 0.36265 0.36412 0.36816 0.37281 0.37675 0.39314 0.39545 0.39793 0.40656 0.41843 0.42408 0.42997 0.43171 0.44511 0.45240 0.45807 0.46561 0.47469 0.49067 0.49350 0.49963 0.50220 0.51269 0.52117 0.52564 0.52799 0.53365 0.54623 0.54806 0.55262 0.55603 0.56783 0.57418 0.58525 0.59310 0.60015 0.61103 0.62158 0.63157 0.64112 0.64458 0.65991 0.66420 0.66802 0.68180 0.68906 0.69351 0.69658 0.71029 0.71521 0.72239 0.73109 0.74542 0.76960 0.77797 0.78332 0.79245 0.80291 0.81384 0.82580 0.83401 0.83905 0.84778 0.86037 0.87102 0.88023 0.88565 0.89095 0.89670 0.91429 0.91907 0.92772 0.93753 0.94148 0.94613 0.95304 0.96257 0.96521 0.97119 0.97758 0.99378 0.99849 1.01245 1.01720 1.02354 1.02836 1.03406 1.03905 1.04251 1.05327 1.05764 1.06572 1.07346 1.07688 1.09076 1.09813 1.10690 1.11321 1.11725 1.11794 1.12792 1.13528 1.14640 1.16298 1.17307 1.18953 1.19786 1.20021 1.20808 1.22017 1.22721 1.23316 1.24212 1.24781 1.25060 1.25675 1.27385 1.28672 1.29345 1.30400 1.30660 1.32138 1.33175 1.33533 1.34638 1.34886 1.35914 1.36496 1.38357 1.39629 1.39718 1.40301 1.41767 1.42975 1.44534 1.44593 1.45355 1.45852 1.46570 1.46791 1.47846 1.48722 1.49705 1.49859 1.50863 1.51143 1.51603 1.52125 1.52897 1.53263 1.54453 1.54999 1.55873 1.56538 1.57690 1.58514 1.59141 1.59387 1.60709 1.61224 1.62105 1.62779 1.64089 1.64370 1.66037 1.66297 1.66964 1.67397 1.68254 1.68614 1.68747 1.69346 1.69956 1.70889 1.72628 1.73016 1.77055 1.78326 1.79092 1.79596 1.79895 1.81811 1.83718 1.85523 1.87947 1.89353 1.90510 1.93186 1.93823 1.94033 1.96097 1.98471 1.99851 2.02985 2.03917 2.06012 2.06367 2.07787 2.08545 2.11212 2.15924 2.17033 2.20708 2.21618 2.22962 2.25031 2.31393 2.33683 2.34148 2.35732 2.36401 2.38322 2.45411 2.46392 2.52101 2.55343 2.55434 2.58743 2.59891 2.60194 2.61719 2.64296 2.68916 2.69051 2.72009 2.73157 2.78631 2.79038 2.84036 2.85656 2.86424 2.87875 2.88931 2.89317 2.90459 2.91406 2.93616 2.94867 2.96157 2.97162 2.98249 2.98303 2.98928 2.99652 3.00065 3.01135 3.02080 3.04734 3.05791 3.07248 3.07805 3.10376 3.14727 3.15596 3.18311 3.18406 3.18771 3.21337 3.22265 3.24578 3.25304 3.26970 3.28251 3.28521 3.29995 3.30346 3.31295 3.32538 3.33692 3.34351 3.35511 3.36781 3.37689 3.38367 3.39645 3.40678 3.42348 3.43426 3.43832 3.44419 3.44895 3.45243 3.45708 3.46510 3.46937 3.47209 3.48637 3.49501 3.50314 3.50716 3.51243 3.52817 3.53382 3.54018 3.54588 3.55307 3.56400 3.57463 3.57733 3.58837 3.60274 3.60618 3.61163 3.62242 3.63438 3.64328 3.66012 3.66257 3.67055 3.67493 3.68392 3.69460 3.70257 3.71566 3.72831 3.73994 3.75157 3.76311 3.78225 3.78670 3.79468 3.80106 3.80648 3.80790 3.82463 3.83507 3.83823 3.83922 3.84341 3.85558 3.85760 3.87775 3.88380 3.88799 3.89584 3.89841 3.90216 3.91064 3.91782 3.91917 3.94830 3.96111 3.96294 3.97142 4.01995 4.02192 4.02696 4.04101 4.05111 4.06592 4.07244 4.07544 4.08520 4.09045 4.09396 4.10773 4.11513 4.12318 4.12753 4.13255 4.14528 4.14734 4.16318 4.17481 4.18820 4.19388 4.20614 4.21035 4.21385 4.22345 4.23285 4.23902 4.24509 4.25403 4.25873 4.26375 4.27226 4.28300 4.29124 4.30738 4.32084 4.32919 4.33849 4.34117 4.34718 4.36662 4.36845 4.38446 4.41667 4.41884 4.43515 4.44565 4.45403 4.49029 4.50941 4.53207 4.54794 4.54863 4.57912 4.58854 4.60066 4.62018 4.63275 4.64255 4.64732 4.65672 4.67884 4.68202 4.68620 4.69643 4.69924 4.70350 4.72661 4.74719 4.74937 4.75540 4.75892 4.76169 4.77455 4.80627 4.83520 4.85586 4.88515 4.89536 4.90985 4.93196 4.94032 4.98918 4.99181 4.99244 5.02437 5.03616 5.07032 5.07175 5.08694 5.09788 5.10285 5.12069 5.12283 5.19922 5.20211 5.23516 5.23916 5.27238 5.28439 5.28555 5.31173 5.32885 5.34451 5.35003 5.37036 5.38529 5.40385 5.41332 5.42017 5.45731 5.47678 5.47798 5.48802 5.50123 5.55204 5.58105 5.59583 5.59768 5.60366 5.65065 5.65713 5.67959 5.68668 5.69533 5.70499 5.70740 5.73660 5.74727 5.78968 5.97213 5.98899 6.03826 6.08491 6.11849 6.89136 6.92601 6.94095 6.96903 6.99281 7.03582 7.04740 7.06280 7.07135 12.43088 12.45802 12.68286 15.93313 23.51808 23.66784 23.72167 32.45260 33.00459 -66.27865 -66.27736 -66.27708 -14.48390 -14.44675 -10.33153 -10.33076 -10.31471 -6.78892 -5.40255 -5.40229 -5.40166 -3.74749 -3.74730 -3.74724 -3.74595 -3.74569 -3.74559 -3.74530 -3.74500 -3.74433 -1.06281 -0.95863 -0.83790 -0.82141 -0.69053 -0.65389 -0.64883 -0.61397 -0.59266 -0.58472 -0.58216 -0.56133 -0.50443 -0.49480 -0.49268 -0.48423 -0.48351 -0.47752 -0.45407 -0.43633 -0.43553 -0.42310 -0.41936 -0.41566 -0.39551 -0.36483 -0.35093 -0.35023 -0.00248 0.06776 0.08438 0.09378 0.09788 0.10218 0.11133 0.11738 0.13360 0.13662 0.14171 0.14695 0.14926 0.15082 0.15335 0.16185 0.16514 0.16725 0.17848 0.19530 0.19823 0.20265 0.20848 0.21350 0.21765 0.22236 0.23120 0.23259 0.23832 0.24455 0.25629 0.25841 0.26451 0.26575 0.27389 0.28446 0.29352 0.30622 0.31071 0.31695 0.31854 0.32440 0.32523 0.34559 0.34781 0.36329 0.36519 0.36947 0.37440 0.38036 0.39523 0.39666 0.40041 0.40850 0.42001 0.42581 0.43126 0.43687 0.44715 0.45440 0.45945 0.46768 0.47530 0.49264 0.49555 0.50115 0.50293 0.51495 0.52238 0.52630 0.52919 0.53502 0.54737 0.55104 0.55629 0.56031 0.57122 0.58006 0.58594 0.59750 0.60255 0.61307 0.62320 0.63348 0.64186 0.64539 0.66064 0.66478 0.66852 0.68312 0.69053 0.69652 0.69738 0.71170 0.71590 0.72401 0.73280 0.74750 0.77051 0.77946 0.78453 0.79427 0.80393 0.81694 0.82631 0.83509 0.84146 0.84866 0.86247 0.87200 0.88223 0.88662 0.89128 0.89752 0.91507 0.91956 0.92812 0.93859 0.94202 0.94703 0.95418 0.96452 0.96646 0.97543 0.97941 0.99470 1.00014 1.01339 1.01850 1.02423 1.02951 1.03500 1.04103 1.04456 1.05348 1.05857 1.06668 1.07462 1.07926 1.09194 1.09923 1.10800 1.11438 1.11865 1.11888 1.13094 1.13878 1.15158 1.16487 1.17516 1.19032 1.19979 1.20241 1.20948 1.22166 1.22858 1.23538 1.24415 1.24943 1.25404 1.25840 1.27797 1.28789 1.29704 1.30669 1.30772 1.32429 1.33401 1.33779 1.34687 1.35125 1.36204 1.36677 1.38637 1.39831 1.39936 1.40435 1.41926 1.43146 1.44620 1.44813 1.45689 1.46031 1.46818 1.46997 1.47945 1.48901 1.49840 1.50041 1.50999 1.51229 1.51691 1.52319 1.53068 1.53359 1.54540 1.55085 1.55979 1.56601 1.57765 1.58587 1.59505 1.59589 1.60964 1.61380 1.62266 1.62854 1.64367 1.64510 1.66152 1.66506 1.67078 1.67437 1.68329 1.68674 1.68829 1.69535 1.70332 1.71076 1.72884 1.73187 1.77302 1.78513 1.79335 1.79958 1.80103 1.81974 1.84290 1.85814 1.88183 1.89466 1.90966 1.93450 1.94143 1.94308 1.96188 1.98817 2.00078 2.03264 2.04300 2.06419 2.06617 2.08410 2.09179 2.12392 2.15962 2.17145 2.20915 2.21690 2.23312 2.26114 2.31557 2.33769 2.34339 2.36026 2.36735 2.38412 2.45455 2.46746 2.52151 2.55651 2.56329 2.58853 2.60284 2.60475 2.61954 2.64574 2.69230 2.69599 2.72588 2.73477 2.78891 2.79699 2.84321 2.85700 2.86648 2.88429 2.89249 2.89692 2.90607 2.91672 2.94095 2.95273 2.96669 2.97478 2.98338 2.98598 2.99306 2.99893 3.00629 3.01540 3.02272 3.05205 3.06037 3.07392 3.08309 3.10687 3.15564 3.15888 3.18438 3.18945 3.19118 3.21531 3.23340 3.24773 3.25568 3.27082 3.28615 3.28680 3.30143 3.30492 3.31410 3.32651 3.33746 3.34469 3.35677 3.36949 3.37940 3.38715 3.39832 3.40947 3.42728 3.43752 3.44007 3.44767 3.45231 3.45588 3.45852 3.47025 3.47103 3.47432 3.48803 3.49661 3.50607 3.50992 3.51492 3.52957 3.53558 3.54217 3.54744 3.55344 3.56649 3.57699 3.58456 3.58991 3.60411 3.60777 3.61352 3.62700 3.63695 3.64434 3.66143 3.66355 3.67185 3.67631 3.68682 3.70116 3.70350 3.71705 3.73034 3.74274 3.75403 3.76359 3.78331 3.78954 3.79868 3.80308 3.80772 3.81125 3.82551 3.83723 3.83945 3.84076 3.84447 3.85805 3.86079 3.87820 3.88448 3.88848 3.89702 3.89886 3.90398 3.91256 3.92112 3.92363 3.94908 3.96368 3.96451 3.97857 4.02215 4.02411 4.02984 4.04263 4.05246 4.06734 4.07554 4.07580 4.08624 4.09095 4.09648 4.10895 4.11627 4.12386 4.12942 4.13366 4.14628 4.14875 4.16481 4.17667 4.18968 4.19582 4.20759 4.21141 4.21488 4.22444 4.23413 4.24019 4.24778 4.25625 4.26163 4.26493 4.27346 4.28405 4.29195 4.30897 4.32258 4.33045 4.34039 4.34324 4.34913 4.36883 4.37100 4.38569 4.41734 4.41976 4.43622 4.44683 4.45506 4.49548 4.51100 4.53289 4.54891 4.55137 4.58007 4.58903 4.60158 4.62341 4.63305 4.64321 4.64780 4.65755 4.67923 4.68455 4.68864 4.69821 4.69995 4.70537 4.72803 4.74853 4.75027 4.75903 4.76387 4.76458 4.77701 4.80656 4.83548 4.85749 4.88751 4.89699 4.91557 4.93280 4.94087 4.98961 5.00023 5.00174 5.02610 5.04044 5.07292 5.07440 5.09115 5.09818 5.10374 5.12905 5.13089 5.20348 5.20514 5.23683 5.24022 5.27453 5.28625 5.29105 5.31326 5.33752 5.34983 5.35077 5.37589 5.38791 5.40903 5.41589 5.42268 5.46027 5.48117 5.48551 5.49400 5.50635 5.55232 5.58682 5.59715 5.60355 5.60900 5.65366 5.66289 5.68256 5.69037 5.69647 5.70590 5.71413 5.73827 5.74791 5.79429 5.98001 5.99211 6.04424 6.08958 6.12469 6.89143 6.92641 6.94126 6.96906 6.99308 7.03604 7.04767 7.06299 7.07162 12.43090 12.45803 12.68317 15.93314 23.52797 23.66795 23.72140 32.45317 33.01208 2-A. -4.1003 0.1646 2.6099 4.8632 -75.4615 -82.5341 -95.6594 -0.3697 7.3784 0.0990 9.0902 2.0176 -11.1078 -0.3697 7.3784 0.0990 -71.8731 0.5623 25.9839 -16.6629 1.6275 -3.6235 -31.9895 0.4229 7.1476 -1.8591 -3180.9324 -767.7215 -601.9793 -17.0512 111.4009 4.3098 -2.6791 40.0384 2.2360 -620.8725 -669.3250 -229.7176 5.2044 7.4429 -0.9177 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) GINC-NODO02 BPR 2025-06-19T00:00:00.000 0 coments 0 2 Version=ES64L-G16RevC.02 State=2-A HF=-1129.2069482 S2=0.753819 S2-1=0. S2A=0.750009 RMSD=3.678e-09 Dipole=0.8338948,-0.6465869,-1.5960511 Quadrupole=-6.1447107,-0.4991508,6.6438615,4.0907966,5.3028718,-1.5189547 PG=C01 [X(C3H20B1N2Si3)] 0 1.7782337804 -0.212255389 -0.339120283 0 1.4473793716 -1.7006059007 0.6107857064 0 2.6662709127 -2.5645219028 0.5548387686 0 1.1926907745 -1.3161626187 2.0224029518 0 0.3063144119 -2.4290962552 0.0081945162 0 2.7567524407 1.0247722994 0.5208270767 0 4.0175342994 0.3709084371 0.9882889711 0 3.09849611 2.1011626878 -0.4425780853 0 2.0082924113 1.5305422096 1.6958837439 0 2.356749532 -0.5518933136 -2.0778659379 0 1.4904694194 -1.7102312589 -2.4061348833 0 2.1169561008 0.7665014505 -2.7052122821 0 3.7964461234 -0.8942166699 -1.887819931 0 0.2778994897 0.5030657697 -0.517260923 0 -0.2029464656 0.0778518378 -1.5666135729 0 0.4664149075 1.7175411715 -0.557326003 0 -0.3911955527 0.1742616398 0.4605973316 0 1.4422913773 0.5424976666 -5.6001594615 0 0.9034051344 0.566244215 -6.5597311221 0 0.7716292791 0.9417214951 -4.8166091363 0 2.3171799171 1.2017540615 -5.6748667259 0 2.9977523846 -1.0169776996 -4.5572364417 0 3.3196217568 -2.0601162893 -4.4718809544 0 3.7882935259 -0.268957742 -4.6776102049 0 0.8269869729 -1.8097451306 -5.3277577312 0 0.286563406 -1.7705821162 -6.2859135242 0 1.2684753549 -2.8090644919 -5.216933011 0 0.0952427697 -1.6595177093 -4.5120386517 0 1.866527414 -0.8071356638 -5.3074734699