Gaussian 16 GINC-LOCALHOST WILLIAM Title Card Required ES64L-G16RevA.03 20-Oct-2025 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 24 24 55 55 231 (5D, 7F) def2SVP 66 66 C1[X(C5H13N3S2Si)] C1[X(C5H13N3S2Si)] RB3LYP def2SVP FOpt # opt freq b3lyp def2svp em=gd3bj 194.28909999999996 0 1 AuxInfo=1/0/N:1;6;13;17;21;3;4;11;2;5;12;7;8;9;10;14;15;16;18;19;20;22;23;24/rA:24nC0S0N0N0S0C0H0H0H0H0N0Si0C0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0242,.1463,-.0676;-2.4391,-.3073,-.0933;-.8602,-.8612,-.0191;-2.324,1.2255,.3101;-.7486,1.7836,-.0345;-3.2773,-1.0992,1.2758;-4.285,-.6646,1.3064;-3.3268,-2.172,1.0513;-2.7275,-.8921,2.2002;1.034,-.0012,-.1241;-3.133,-.769,-1.3461;-2.8642,-2.5087,-1.977;-2.8865,-2.6699,-3.9101;-1.9198,-2.4273,-4.2995;-3.1387,-3.6737,-4.1815;-3.6134,-1.9974,-4.3157;-4.6582,-2.7682,-1.2857;-4.6063,-3.0396,-.252;-5.2148,-1.8602,-1.3885;-5.1429,-3.5478,-1.8353;-1.6824,-3.8535,-1.2296;-1.6308,-4.6914,-1.893;-.7045,-3.4381,-1.1029;-2.0601,-4.1725,-.2807; /home/william/g16/g16 Output=/home/william/Working/P11_heteroArom/NICS_request/Silane/SNSN_Silane.log mem=110GB chk=SNSN_Silane.chk # opt freq b3lyp def2svp em=gd3bj 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=2,25=1,30=1,71=1,74=-5,124=41/1,2,3 4//1 5/5=2,38=5/2 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=-5,124=41/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 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 Title Card Required 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 1 1 1 2 2 2 2 4 6 6 6 11 12 12 12 13 13 13 17 17 17 21 21 21 3 5 10 3 4 6 11 5 7 8 9 12 13 17 21 14 15 16 18 19 20 22 23 24 1.3101 1.7907 1.07 1.6748 1.5891 1.79 1.5048 1.7064 1.0979 1.0971 1.0953 1.87 1.94 1.94 1.94 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 3 3 5 3 3 3 4 4 6 1 2 1 2 2 2 7 7 8 2 11 11 11 13 13 17 12 12 12 14 14 15 12 12 12 18 18 19 12 12 12 22 22 23 1 1 1 2 2 2 2 2 2 3 4 5 6 6 6 6 6 6 11 12 12 12 12 12 12 13 13 13 13 13 13 17 17 17 17 17 17 21 21 21 21 21 21 5 10 10 4 6 11 6 11 11 2 5 4 7 8 9 8 9 9 12 13 17 21 17 21 21 14 15 16 15 16 16 18 19 20 19 20 20 22 23 24 23 24 24 116.3789 121.8106 121.8106 103.8548 105.1443 111.7244 105.4581 122.7269 106.566 110.2188 109.3355 94.4824 106.0231 107.292 109.0727 110.57 111.2475 112.3461 120.0 114.3163 82.6045 127.0489 109.4712 109.4713 109.4712 109.4712 109.4712 109.4712 109.4713 109.4712 109.4712 109.4712 109.4712 109.4712 109.4713 109.4712 109.4712 109.4712 109.4712 109.4712 109.4713 109.4712 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 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 5 10 3 10 4 6 11 3 6 11 3 3 3 4 4 4 11 11 11 3 4 6 2 2 2 2 11 11 11 17 17 17 21 21 21 11 11 11 13 13 13 21 21 21 11 11 11 13 13 13 17 17 17 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 3 3 5 5 3 3 3 4 4 4 6 6 6 6 6 6 6 6 6 11 11 11 5 12 12 12 13 13 13 13 13 13 13 13 13 17 17 17 17 17 17 17 17 17 21 21 21 21 21 21 21 21 21 2 2 4 4 1 1 1 5 5 5 7 8 9 7 8 9 7 8 9 12 12 12 1 13 17 21 14 15 16 14 15 16 14 15 16 18 19 20 18 19 20 18 19 20 22 23 24 22 23 24 22 23 24 5.7322 -174.2678 8.7017 -171.2983 -19.0219 -129.5796 115.2191 24.6805 135.0078 -103.0301 174.0985 -67.7204 54.215 64.6941 -177.1247 -55.1894 -67.1785 51.0026 172.938 40.3279 164.5546 -73.998 -20.1397 -146.0379 105.8907 -2.9639 83.6165 -156.3835 -36.3835 174.1861 -65.8139 54.1861 -65.8139 54.1861 174.1861 -87.5487 32.4513 152.4513 159.215 -80.785 39.215 39.2149 159.2149 -80.7851 -171.299 -51.299 68.701 -26.7985 93.2015 -146.7985 93.2015 -146.7985 -26.7985 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 242 A 231 A 402 242 999.5242547170 24 1.00e+00 60 F Berny optimization. local minimum Step number 53 out of a maximum of 130 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00157 0.00185 0.00203 0.00231 0.00328 0.00455 0.01514 0.02658 0.03623 0.03972 0.04471 0.04722 0.05005 0.05170 0.05313 0.05481 0.05735 0.05905 0.06115 0.06343 0.07361 0.09819 0.10032 0.11052 0.11737 0.13151 0.13206 0.13991 0.14552 0.15178 0.15702 0.15863 0.16000 0.16013 0.16053 0.16127 0.16297 0.16510 0.16778 0.17754 0.18073 0.18686 0.19264 0.19534 0.23472 0.24567 0.26829 0.29540 0.31119 0.33943 0.34218 0.34305 0.35050 0.36992 0.37135 0.37171 0.37225 0.37242 0.37262 0.37285 0.37406 0.37534 0.38475 0.48075 0.62892 0.74707 -1.06897900e-07 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 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 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 2.42941 3.29743 2.07349 3.32553 3.02587 3.40228 2.86074 3.21390 2.07385 2.07340 2.07341 3.34461 3.56290 3.54921 3.54721 2.08212 2.08377 2.08246 2.08254 2.08170 2.08373 2.08355 2.08223 2.08218 2.09484 2.12224 2.06610 1.79040 1.74077 2.04394 1.95079 2.07913 1.83245 1.90574 1.95942 1.67064 1.85690 1.87835 1.88540 1.93912 1.94711 1.95221 2.14967 1.92996 1.89170 1.84499 1.92297 1.93031 1.94227 1.93657 1.93567 1.93450 1.88655 1.88701 1.88155 1.93425 1.91003 1.94946 1.88470 1.88757 1.89626 1.93886 1.93442 1.93161 1.88790 1.88665 1.88251 0.04433 -3.10138 -0.07647 3.06912 0.01169 -1.99687 2.32279 -0.06140 1.78880 -2.35148 3.11309 -1.09039 1.02034 1.23072 -2.97277 -0.86203 -1.04705 1.03266 -3.13979 -1.37187 0.79982 3.00016 0.07654 0.60324 -1.50631 2.69300 0.96103 3.05805 -1.13578 3.05188 -1.13429 0.95507 -1.07664 1.02038 3.10974 -1.02884 1.04779 -3.13483 3.14048 -1.06608 1.03448 0.99279 3.06942 -1.11321 3.10059 -1.08320 1.00464 -1.09306 1.00633 3.09418 1.05042 -3.13337 -1.04553 0.00002 -0.00001 -0.00000 -0.00006 0.00001 -0.00001 -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 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 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 0.00005 0.00000 0.00001 -0.00001 -0.00002 0.00001 0.00001 0.00001 0.00001 -0.00003 -0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00001 0.00011 -0.00016 -0.00002 -0.00058 0.00014 -0.00008 -0.00005 -0.00002 -0.00000 -0.00001 -0.00000 -0.00000 0.00002 0.00000 0.00000 -0.00002 0.00001 0.00002 -0.00001 -0.00001 -0.00000 0.00002 -0.00001 -0.00001 -0.00007 -0.00002 0.00009 0.00007 0.00024 -0.00008 -0.00028 0.00001 0.00006 0.00012 -0.00007 0.00003 -0.00004 0.00006 -0.00001 0.00001 -0.00006 0.00004 0.00012 -0.00005 0.00000 0.00011 -0.00006 -0.00002 0.00002 0.00010 0.00005 -0.00013 -0.00001 0.00003 -0.00005 -0.00006 -0.00002 0.00003 0.00003 0.00000 0.00003 -0.00004 -0.00004 0.00010 -0.00001 -0.00002 0.00000 0.00031 0.00042 0.00034 0.00023 -0.00086 -0.00067 -0.00085 0.00109 0.00131 0.00114 -0.00069 -0.00067 -0.00059 -0.00080 -0.00077 -0.00070 -0.00066 -0.00063 -0.00056 -0.00032 -0.00029 -0.00061 -0.00091 0.00044 0.00054 0.00045 -0.00009 0.00000 -0.00011 -0.00016 -0.00006 -0.00018 -0.00018 -0.00009 -0.00020 -0.00004 -0.00006 -0.00002 0.00005 0.00003 0.00007 0.00010 0.00008 0.00012 0.00078 0.00071 0.00076 0.00077 0.00070 0.00075 0.00070 0.00063 0.00068 0.00001 -0.00004 0.00001 -0.00006 0.00001 -0.00001 -0.00003 -0.00000 0.00001 -0.00000 0.00000 -0.00015 0.00001 0.00003 -0.00003 0.00002 -0.00001 0.00001 0.00001 0.00001 0.00001 -0.00000 0.00002 0.00001 -0.00003 0.00000 0.00002 -0.00001 -0.00000 0.00004 -0.00002 0.00002 -0.00004 0.00003 -0.00000 0.00001 0.00001 0.00003 -0.00001 -0.00001 -0.00002 -0.00000 0.00019 -0.00005 0.00006 -0.00009 -0.00014 0.00013 0.00009 0.00009 0.00009 -0.00018 0.00001 -0.00004 0.00003 0.00015 -0.00007 -0.00007 -0.00001 0.00000 -0.00001 0.00003 -0.00004 -0.00001 0.00001 0.00000 0.00002 -0.00004 -0.00012 0.00005 0.00013 0.00002 0.00004 0.00007 0.00001 -0.00000 -0.00005 -0.00014 -0.00014 -0.00013 -0.00012 -0.00012 -0.00011 -0.00011 -0.00010 -0.00009 0.00008 0.00013 0.00009 -0.00003 -0.00007 0.00009 0.00001 -0.00004 0.00009 0.00007 -0.00008 0.00004 0.00002 0.00002 0.00015 0.00013 -0.00019 -0.00015 -0.00025 -0.00009 -0.00004 -0.00014 -0.00022 -0.00017 -0.00027 -0.00002 -0.00002 -0.00003 -0.00005 -0.00005 -0.00007 -0.00008 -0.00008 -0.00010 0.00012 -0.00020 -0.00001 -0.00065 0.00015 -0.00009 -0.00008 -0.00002 0.00001 -0.00001 -0.00000 -0.00015 0.00003 0.00003 -0.00003 -0.00001 -0.00000 0.00003 -0.00000 -0.00000 0.00001 0.00001 0.00001 -0.00000 -0.00010 -0.00001 0.00011 0.00005 0.00024 -0.00004 -0.00029 0.00003 0.00002 0.00015 -0.00007 0.00004 -0.00003 0.00009 -0.00002 0.00000 -0.00008 0.00004 0.00031 -0.00010 0.00007 0.00001 -0.00020 0.00011 0.00011 0.00019 0.00014 -0.00030 0.00000 -0.00000 -0.00002 0.00009 -0.00009 -0.00004 0.00002 0.00001 0.00002 -0.00000 -0.00008 0.00009 -0.00001 -0.00001 0.00002 0.00027 0.00030 0.00039 0.00036 -0.00085 -0.00063 -0.00079 0.00111 0.00130 0.00109 -0.00084 -0.00080 -0.00072 -0.00092 -0.00089 -0.00080 -0.00077 -0.00074 -0.00066 -0.00023 -0.00016 -0.00052 -0.00094 0.00037 0.00063 0.00046 -0.00013 0.00009 -0.00005 -0.00024 -0.00002 -0.00016 -0.00016 0.00006 -0.00008 -0.00023 -0.00021 -0.00027 -0.00003 -0.00001 -0.00007 -0.00011 -0.00009 -0.00015 0.00076 0.00069 0.00072 0.00072 0.00065 0.00068 0.00062 0.00055 0.00058 2.42953 3.29723 2.07348 3.32489 3.02601 3.40218 2.86066 3.21388 2.07386 2.07339 2.07341 3.34446 3.56294 3.54924 3.54718 2.08212 2.08376 2.08249 2.08253 2.08170 2.08374 2.08356 2.08224 2.08218 2.09474 2.12222 2.06621 1.79046 1.74102 2.04390 1.95050 2.07916 1.83247 1.90589 1.95934 1.67068 1.85688 1.87844 1.88538 1.93912 1.94704 1.95225 2.14998 1.92986 1.89176 1.84500 1.92277 1.93042 1.94238 1.93676 1.93581 1.93419 1.88656 1.88700 1.88153 1.93434 1.90994 1.94942 1.88472 1.88758 1.89628 1.93885 1.93434 1.93170 1.88789 1.88663 1.88252 0.04460 -3.10108 -0.07608 3.06947 0.01084 -1.99749 2.32200 -0.06029 1.79011 -2.35039 3.11225 -1.09120 1.01962 1.22979 -2.97365 -0.86284 -1.04782 1.03192 -3.14045 -1.37211 0.79966 2.99963 0.07561 0.60361 -1.50568 2.69347 0.96090 3.05813 -1.13583 3.05164 -1.13431 0.95491 -1.07680 1.02044 3.10966 -1.02907 1.04759 -3.13510 3.14044 -1.06609 1.03441 0.99268 3.06933 -1.11336 3.10135 -1.08251 1.00536 -1.09234 1.00698 3.09485 1.05104 -3.13282 -1.04495 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000058 0.000009 0.001314 0.000450 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -5.293116e-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 1 1 1 2 2 2 2 4 6 6 6 11 12 12 12 13 13 13 17 17 17 21 21 21 3 5 10 3 4 6 11 5 7 8 9 12 13 17 21 14 15 16 18 19 20 22 23 24 1.2856 1.7449 1.0972 1.7598 1.6012 1.8004 1.5138 1.7007 1.0974 1.0972 1.0972 1.7699 1.8854 1.8782 1.8771 1.1018 1.1027 1.102 1.102 1.1016 1.1027 1.1026 1.1019 1.1018 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 3 3 5 3 3 3 4 4 6 1 2 1 2 2 2 7 7 8 2 11 11 11 13 13 17 12 12 12 14 14 15 12 12 12 18 18 19 12 12 12 22 22 23 1 1 1 2 2 2 2 2 2 3 4 5 6 6 6 6 6 6 11 12 12 12 12 12 12 13 13 13 13 13 13 17 17 17 17 17 17 21 21 21 21 21 21 5 10 10 4 6 11 6 11 11 2 5 4 7 8 9 8 9 9 12 13 17 21 17 21 21 14 15 16 15 16 16 18 19 20 19 20 20 22 23 24 23 24 24 120.0257 121.5951 118.3788 102.5825 99.739 117.1093 111.7722 119.1251 104.9916 109.191 112.2663 95.7205 106.3928 107.6218 108.0253 111.1031 111.5614 111.8536 123.167 110.5786 108.3862 105.7102 110.1783 110.5984 111.2841 110.9574 110.9058 110.8386 108.0916 108.1175 107.8049 110.8244 109.4369 111.696 107.9853 108.15 108.6478 111.0884 110.834 110.6729 108.1684 108.0969 107.8596 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 5 10 3 10 4 6 11 3 6 11 3 3 3 4 4 4 11 11 11 3 4 6 2 2 2 2 11 11 11 17 17 17 21 21 21 11 11 11 13 13 13 21 21 21 11 11 11 13 13 13 17 17 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 3 3 5 5 3 3 3 4 4 4 6 6 6 6 6 6 6 6 6 11 11 11 5 12 12 12 13 13 13 13 13 13 13 13 13 17 17 17 17 17 17 17 17 17 21 21 21 21 21 21 21 21 2 2 4 4 1 1 1 5 5 5 7 8 9 7 8 9 7 8 9 12 12 12 1 13 17 21 14 15 16 14 15 16 14 15 16 18 19 20 18 19 20 18 19 20 22 23 24 22 23 24 22 23 2.5401 -177.6958 -4.3811 175.8473 0.6697 -114.4121 133.0858 -3.518 102.4909 -134.73 178.3669 -62.4748 58.4614 70.5148 -170.3269 -49.3907 -59.9914 59.1669 -179.8969 -78.6026 45.8265 171.8963 4.3855 34.5631 -86.3053 154.2978 55.0628 175.2132 -65.0755 174.8597 -64.99 54.7214 -61.6867 58.4637 178.175 -58.9479 60.0342 -179.6128 179.9361 -61.0818 59.2712 56.8827 175.8648 -63.7822 177.6506 -62.0629 57.5617 -62.6278 57.6587 177.2833 60.1846 -179.5289 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 194.28909999999996 AuxInfo=1/0/N:1;6;13;17;21;3;4;11;2;5;12;7;8;9;10;14;15;16;18;19;20;22;23;24/rA:24nC0S0N0N0S0C0H0H0H0H0N0Si0C0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;/rC:-.0242,.1463,-.0676;-2.4391,-.3073,-.0933;-.8602,-.8612,-.0191;-2.324,1.2255,.3101;-.7486,1.7836,-.0345;-3.2773,-1.0992,1.2758;-4.285,-.6646,1.3064;-3.3268,-2.172,1.0513;-2.7275,-.8921,2.2002;1.0341,-.0012,-.1241;-3.133,-.769,-1.3461;-2.8642,-2.5087,-1.977;-2.8865,-2.6699,-3.9101;-1.9198,-2.4273,-4.2994;-3.1387,-3.6737,-4.1815;-3.6134,-1.9974,-4.3157;-4.6582,-2.7682,-1.2857;-4.6063,-3.0396,-.252;-5.2148,-1.8602,-1.3885;-5.1429,-3.5479,-1.8353;-1.6824,-3.8535,-1.2296;-1.6308,-4.6914,-1.893;-.7045,-3.4381,-1.1029;-2.0601,-4.1725,-.2807; 0.000000 2.457227 0.000000 1.310069 1.674832 0.000000 2.568311 1.589135 2.570035 0.000000 1.790722 2.689419 2.647190 1.706432 0.000000 3.733443 1.789983 2.752366 2.691786 4.052355 0.000000 4.549734 2.343985 3.677603 2.900160 4.505312 1.097882 0.000000 4.187320 2.361195 2.991315 3.619130 4.844872 1.097142 1.804299 0.000000 3.678150 2.384317 2.900431 2.866987 4.008604 1.095284 1.810124 1.821298 0.000000 1.070000 3.486746 2.083019 3.601344 2.524194 4.664021 5.547897 5.011103 4.510538 0.000000 3.483814 1.504800 2.633480 2.715777 3.731156 2.646590 2.893797 2.784578 3.571544 4.409940 0.000000 4.331284 2.928361 3.250164 4.412094 5.164586 3.569003 4.024928 3.081863 4.481117 4.991719 1.870000 0.000000 5.557718 4.511144 4.745264 5.770633 6.278917 5.432629 5.761004 5.005765 6.365634 6.068526 3.201275 1.940000 0.000000 5.303294 4.738787 4.679434 5.895238 6.106854 5.889810 6.334583 5.538541 6.727105 5.660850 3.597769 2.508459 1.070000 0.000000 6.419963 5.341867 5.516089 6.696234 7.258946 6.035631 6.362814 5.447245 6.973620 6.881988 4.059122 2.508459 1.070000 1.747303 0.000000 5.960169 4.697303 5.227992 5.783390 6.390005 5.673160 5.816867 5.377510 6.668070 6.569118 3.249341 2.508459 1.070000 1.747303 1.747303 0.000000 5.608144 3.521669 4.434554 4.893282 6.129343 3.354600 3.359031 2.754894 4.404334 6.434834 2.515269 1.940000 3.168007 4.086276 3.393286 3.296501 0.000000 5.583852 3.491077 4.339675 4.869916 6.180006 2.804551 2.858758 2.021978 3.762268 6.407962 2.919523 2.508459 4.059121 4.896330 4.242255 4.311160 1.070000 0.000000 5.719505 3.434189 4.672857 4.556665 5.920916 3.381021 3.091312 3.100699 4.472383 6.641005 2.350819 2.508459 3.526380 4.433107 3.924272 3.339515 1.070000 1.747303 0.000000 6.555305 4.565782 5.371959 5.944197 7.139812 4.376640 4.349614 3.677430 5.401093 7.325419 3.464242 2.508459 3.188596 4.209033 3.088240 3.300890 1.070000 1.747303 1.747303 0.000000 4.483033 3.799872 3.330908 5.345819 5.837525 4.050482 4.834630 3.276251 4.650233 4.841607 3.410568 1.940000 3.168007 3.393287 3.296502 4.086276 3.168007 3.188595 4.059121 3.526381 0.000000 5.414446 4.807552 4.333110 6.351640 6.793970 5.065143 5.787555 4.229950 5.691284 5.677026 4.235686 2.508459 3.119673 3.316736 2.923477 4.130067 3.637639 3.778162 4.595143 3.694003 1.070000 0.000000 3.792438 3.718932 2.799931 5.135046 5.330117 4.212854 5.130071 3.622204 4.635166 3.974052 3.616852 2.508459 3.637640 3.566089 3.931781 4.567235 4.014248 4.013366 4.786954 4.499802 1.070000 1.747303 0.000000 4.779349 3.888276 3.531710 5.436641 6.103764 3.653672 4.446861 2.716760 4.166622 5.195972 3.724331 2.508459 4.014249 4.383624 4.077835 4.839977 3.119673 2.787010 4.065293 3.508684 1.070000 1.747303 1.747303 0.000000 C5H13N3S2Si 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 0 194.28909999999996 AuxInfo=1/0/N:1;6;13;17;21;3;4;11;2;5;12;7;8;9;10;14;15;16;18;19;20;22;23;24/rA:24nC0S0N0N0S0C0H0H0H0H0N0Si0C0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;/rC:2.1044,-1.2636,.8374;.7728,.5742,-.1045;1.0004,-.5977,1.0701;2.2156,.7561,-.7453;3.1212,-.6714,-.5125;.458,2.087,.799;.4132,2.8855,.0469;-.5123,1.9728,1.2982;1.2744,2.2562,1.5093;2.3834,-2.1151,1.4222;-.4559,.304,-.9302;-2.0156,-.3202,-.1089;-3.0595,-1.5392,-1.1989;-2.6661,-2.5296,-1.1029;-4.0782,-1.5268,-.872;-3.0099,-1.2334,-2.2231;-2.6102,1.4994,-.4235;-2.3178,2.1175,.3995;-2.1649,1.8696,-1.3233;-3.6757,1.5148,-.5203;-2.253,-.7633,1.7648;-3.2042,-1.2336,1.9024;-1.4767,-1.4313,2.0745;-2.2092,.1308,2.3511; 1.3711690 0.4736729 0.4422296 -89.04645 -88.89989 -66.13073 -14.35305 -14.31609 -14.27953 -10.28138 -10.22455 -10.17076 -10.16500 -10.13757 -8.11421 -7.99244 -6.08380 -6.08084 -6.07991 -5.96201 -5.95730 -5.95189 -5.29084 -3.65474 -3.65220 -3.65162 -1.03510 -0.90430 -0.87336 -0.77176 -0.72814 -0.70712 -0.68137 -0.66495 -0.63863 -0.58538 -0.51029 -0.50344 -0.48570 -0.45532 -0.44393 -0.42587 -0.41833 -0.41647 -0.40770 -0.40303 -0.39794 -0.38652 -0.38141 -0.35908 -0.33744 -0.32379 -0.30657 -0.29308 -0.28835 -0.27831 -0.23499 -0.20966 -0.05327 -0.01972 0.02909 0.04776 0.06239 0.06596 0.07211 0.08169 0.08814 0.09527 0.10011 0.11296 0.11432 0.12413 0.13371 0.13637 0.14164 0.15280 0.16741 0.17293 0.17656 0.17989 0.21909 0.23778 0.26202 0.29882 0.34240 0.35480 0.37871 0.38479 0.40085 0.40346 0.41941 0.42818 0.45645 0.46635 0.48390 0.50003 0.51259 0.53042 0.55153 0.55691 0.56579 0.56796 0.58140 0.58604 0.58965 0.59726 0.61167 0.61935 0.62259 0.62571 0.63742 0.64315 0.64676 0.66012 0.66331 0.66989 0.68424 0.68679 0.69404 0.69599 0.70489 0.71005 0.71485 0.71746 0.73052 0.74407 0.75171 0.75956 0.78193 0.79767 0.81843 0.83036 0.84330 0.85792 0.87000 0.87946 0.92264 0.93013 0.93087 0.95216 0.96041 0.97912 1.00368 1.01315 1.03007 1.05992 1.07553 1.10080 1.10366 1.11809 1.13895 1.18399 1.19701 1.21508 1.23573 1.25423 1.26971 1.33686 1.36804 1.38940 1.41470 1.45855 1.47854 1.49676 1.54516 1.55029 1.56385 1.59694 1.64379 1.68962 1.72808 1.74599 1.75057 1.75658 1.76789 1.78307 1.80216 1.80794 1.81429 1.83503 1.87100 1.90370 1.92012 1.95079 1.97786 1.99913 2.00350 2.00599 2.00974 2.01985 2.02827 2.05022 2.06084 2.15794 2.20947 2.21634 2.23611 2.24828 2.25885 2.28465 2.28754 2.31713 2.32090 2.38328 2.40436 2.42815 2.45085 2.47189 2.48506 2.49317 2.49393 2.51647 2.52092 2.52995 2.58608 2.61177 2.63993 2.67551 2.72521 2.75739 2.77823 2.79453 2.81132 2.87463 2.91627 2.94244 2.95246 2.96048 2.96344 2.97749 2.99314 2.99804 3.02824 3.08430 1-A. -0.2258 -1.2187 2.9681 3.2165 -88.6239 -83.1085 -92.3667 -2.8572 2.8686 1.8062 -0.5909 4.9246 -4.3337 -2.8572 2.8686 1.8062 5.7616 -0.1259 0.3848 15.5874 -27.2440 11.2221 4.1142 0.8013 9.5729 -2.1880 -2536.3042 -714.9243 -536.0643 -21.8090 4.3464 -9.4491 -8.9566 7.6227 4.6397 -551.7252 -506.6243 -206.4465 -6.5344 11.9740 -10.1688 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 194.28909999999996 AuxInfo=1/0/N:1;6;13;17;21;3;4;11;2;5;12;7;8;9;10;14;15;16;18;19;20;22;23;24/rA:24nC0S0N0N0S0C0H0H0H0H0N0Si0C0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;/rC:-.6248,.6555,-.8312;-2.3194,-.8621,.1996;-.6483,-.4317,-.1454;-3.1376,.3091,-.5235;-2.1143,1.4829,-1.2072;-2.32,-.6703,1.9897;-3.342,-.8889,2.3243;-1.6061,-1.3945,2.4016;-2.0325,.3631,2.2206;.3174,1.0885,-1.19;-2.7249,-2.3007,-.0403;-3.0792,-2.9518,-1.6475;-1.9743,-2.1478,-2.9465;-.9105,-2.2576,-2.6817;-2.1303,-2.6092,-3.9358;-2.1955,-1.0721,-3.0378;-4.8859,-2.6175,-2.037;-5.5418,-3.0841,-1.2842;-5.0693,-1.5314,-2.0216;-5.1683,-3.0088,-3.0284;-2.7356,-4.7938,-1.5368;-2.9696,-5.2989,-2.4885;-1.6759,-4.9812,-1.2999;-3.3459,-5.2565,-.7446; 0.000000 2.497396 0.000000 1.285588 1.759797 0.000000 2.555155 1.601219 2.624592 0.000000 1.744924 2.742278 2.634860 1.700723 0.000000 3.548048 1.800408 2.722182 2.818504 3.859944 0.000000 4.441345 2.358193 3.683056 3.096296 4.427732 1.097434 0.000000 3.951703 2.375152 2.886439 3.715390 4.643450 1.097198 1.809772 0.000000 3.373450 2.380726 2.854062 2.958709 3.607006 1.097204 1.814727 1.817673 0.000000 1.097245 3.562050 2.082007 3.603938 2.463480 4.489952 5.445358 4.771231 4.204776 0.000000 3.711454 1.513836 2.795807 2.686112 4.006322 2.635001 2.822313 2.834739 3.561872 4.697236 0.000000 4.438777 2.890645 3.810038 3.449702 4.559779 4.360157 4.483275 4.581512 5.200581 5.298102 1.769890 0.000000 3.762215 3.416166 3.542549 3.641565 4.028266 5.164231 5.589048 5.413464 5.745184 4.337136 3.005511 1.885407 0.000000 3.462926 3.497720 3.136104 4.025664 4.196985 5.131084 5.731103 5.202697 5.670881 3.863808 3.204801 2.500956 1.101811 0.000000 4.750099 4.493302 4.615736 4.601699 4.918444 6.237596 6.604337 6.474034 6.837071 5.215686 3.952720 2.500875 1.102681 1.784507 0.000000 3.212595 3.246563 3.342142 3.019498 3.144161 5.045123 5.486422 5.480754 5.453176 3.794304 3.282551 2.499475 1.101993 1.784242 1.781410 0.000000 5.506664 3.830210 5.129625 3.729957 5.018365 5.156542 4.938868 5.652773 5.928974 6.444045 2.959225 1.878162 3.086293 4.043391 3.346517 3.260144 0.000000 6.194040 4.186000 5.681387 4.227625 5.710623 5.188946 4.762273 5.650638 6.040021 7.193658 3.177394 2.492711 4.045566 4.907610 4.346815 4.280312 1.102032 0.000000 5.094472 3.597733 4.926985 3.060019 4.299058 4.938755 4.720530 5.619404 5.550473 6.047482 3.164466 2.473450 3.288548 4.273065 3.669333 3.082678 1.101586 1.782599 0.000000 6.236853 4.810887 5.948428 4.626810 5.728829 6.226041 6.039966 6.691838 6.982495 7.089438 3.924370 2.504909 3.309012 4.337463 3.195730 3.548068 1.102663 1.785330 1.790571 0.000000 5.886245 4.318202 5.031959 5.218118 6.316034 5.441737 5.524877 5.323693 6.419191 6.636441 2.907777 1.877100 3.093296 3.327769 3.300670 4.049238 3.100073 3.295728 4.040406 3.365958 0.000000 6.610581 5.228224 5.879494 5.944763 6.954647 6.473084 6.538361 6.404410 7.423765 7.299979 3.878515 2.495696 3.336207 3.677918 3.167662 4.332160 3.326575 3.601648 4.338333 3.220354 1.102568 0.000000 5.752987 4.430585 4.804888 5.543242 6.479685 5.460817 5.714706 5.154618 6.409582 6.389602 3.141989 2.491759 3.290767 3.148561 3.575108 4.309538 4.053954 4.306315 4.892604 4.367541 1.101869 1.785329 0.000000 6.508658 4.610418 5.560062 5.573899 6.866612 5.437107 5.337971 5.276375 6.488221 7.340053 3.101312 2.489556 4.048903 4.321626 4.320834 4.908308 3.317512 3.135661 4.298486 3.686346 1.101842 1.784500 1.781251 0.000000 C5H13N3S2Si 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 0 194.28909999999996 AuxInfo=1/0/N:1;6;13;17;21;3;4;11;2;5;12;7;8;9;10;14;15;16;18;19;20;22;23;24/rA:24nC0S0N0N0S0C0H0H0H0H0N0Si0C0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;/rC:2.2716,-.6757,1.1484;.7086,.8404,-.0745;1.5191,.335,1.4035;1.252,-.2153,-1.1488;2.4049,-1.2748,-.485;1.4585,2.4624,-.2938;1.0425,2.873,-1.2226;1.1782,3.0775,.5704;2.5452,2.3274,-.3638;2.8447,-1.1792,1.9371;-.7794,1.1052,.0107;-1.9932,-.1829,.0208;-1.342,-1.6999,.9316;-1.0105,-1.4366,1.9488;-2.123,-2.4738,1.0155;-.4863,-2.1414,.3958;-2.4052,-.6226,-1.758;-2.7882,.257,-2.3004;-1.4936,-.968,-2.2709;-3.1654,-1.4193,-1.8154;-3.4847,.5311,.9092;-4.3176,-.1911,.9295;-3.2325,.7941,1.9491;-3.8367,1.4455,.4053; 1.2140265 0.5358708 0.4837220 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 6 16 7 7 16 6 1 1 1 1 7 14 6 1 1 1 6 1 1 1 6 1 1 1 -0.042255202 0.002175274 0.003418995 -0.016147560 0.003178734 0.000073799 0.038499208 0.008628350 0.007398061 0.002595077 0.006472124 0.002102246 0.005197234 -0.017134916 0.000898232 0.005063865 0.003503509 0.011291412 0.000297794 -0.000270533 -0.000542695 0.000520958 0.001946114 0.001671951 -0.001098403 -0.000789087 0.002260363 0.017836447 -0.000857725 -0.003622731 0.037940192 -0.014591824 -0.032951892 -0.051484030 0.012126634 0.006412260 0.006664942 0.013167760 0.041707622 0.019141372 0.004317265 -0.011583992 -0.004568450 -0.021071360 -0.003290214 -0.013829161 0.013665964 -0.008181576 0.023978235 -0.023139588 -0.024828222 -0.001680779 -0.007037383 0.019657922 -0.007722903 0.015155830 -0.003559034 -0.016780335 -0.020092524 -0.006118719 -0.015213487 0.036959065 -0.011101977 -0.001175987 -0.015815562 -0.014731510 0.020445058 0.005267812 0.004404174 -0.006224085 -0.005763935 0.019215526 0.051484030 0.016595836 8 -1447.88767320 PT58880.100S 2025-10-20T13:09:10.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 C S N N S C H H H H N Si C H H H C H H H C H H H 0.018555 0.572341 -0.302178 -0.521978 0.231102 0.019795 0.081933 0.065910 0.050594 0.065022 -0.534463 0.517424 -0.185235 0.031618 0.036186 0.047367 -0.148264 -0.011051 0.038256 0.000437 -0.188361 0.035961 0.048968 0.030061 -0.00000 -89.04919 -88.89916 -66.10722 -14.34970 -14.32090 -14.29042 -10.27686 -10.22867 -10.15725 -10.15620 -10.15231 -8.11680 -7.99262 -6.08575 -6.08371 -6.08281 -5.96219 -5.95730 -5.95205 -5.27100 -3.63449 -3.63225 -3.63196 -1.02450 -0.91390 -0.87026 -0.77632 -0.73218 -0.69698 -0.66315 -0.65984 -0.62587 -0.59700 -0.52495 -0.49081 -0.48466 -0.44635 -0.44337 -0.42065 -0.41304 -0.40241 -0.39853 -0.39515 -0.38298 -0.38088 -0.37151 -0.36923 -0.33657 -0.32409 -0.30837 -0.30396 -0.29268 -0.27041 -0.26022 -0.21406 -0.04166 -0.01396 0.03564 0.05409 0.06238 0.06838 0.07962 0.08713 0.09581 0.10136 0.10532 0.11233 0.12163 0.12440 0.12782 0.13274 0.14145 0.15180 0.15573 0.15913 0.17636 0.19366 0.20189 0.22576 0.26308 0.30311 0.34690 0.36155 0.37316 0.38404 0.39144 0.41045 0.42245 0.42335 0.44659 0.46950 0.47443 0.50345 0.53852 0.54694 0.55430 0.56019 0.57767 0.57971 0.58747 0.58954 0.59539 0.60161 0.60494 0.61211 0.62647 0.63123 0.63423 0.64318 0.65227 0.65451 0.65829 0.66140 0.66718 0.67076 0.67771 0.68276 0.68769 0.69463 0.70014 0.70767 0.72546 0.72892 0.74288 0.76698 0.79709 0.81546 0.82918 0.83361 0.84954 0.87611 0.87631 0.89257 0.91822 0.92910 0.93412 0.94170 0.96172 0.97957 0.99264 1.01158 1.03474 1.07317 1.08510 1.08604 1.09504 1.10729 1.17343 1.18853 1.19977 1.21195 1.24870 1.26852 1.27205 1.30477 1.32744 1.37853 1.44318 1.46977 1.48043 1.50651 1.54120 1.54359 1.54888 1.55853 1.64050 1.69996 1.71792 1.73012 1.73172 1.73385 1.75477 1.76773 1.79049 1.80519 1.82249 1.82595 1.85099 1.92748 1.93378 1.94131 1.94361 1.94671 1.95754 1.95883 1.96683 1.98745 2.01332 2.01568 2.05290 2.15216 2.20675 2.22588 2.23710 2.25917 2.26794 2.27751 2.28187 2.28998 2.31965 2.38989 2.39476 2.40761 2.43759 2.44675 2.45020 2.45790 2.47141 2.47927 2.48697 2.50301 2.59222 2.64023 2.66310 2.67294 2.69265 2.70082 2.70471 2.70679 2.77669 2.85271 2.88228 2.92164 2.92509 2.93264 2.93889 2.94539 2.95140 2.96192 2.99786 3.08000 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 C S N N S C H H H H N Si C H H H C H H H C H H H -0.001608 0.605419 -0.296157 -0.539697 0.231360 0.010082 0.075697 0.076550 0.050469 0.075862 -0.515838 0.526497 -0.236646 0.041310 0.034116 0.039936 -0.204957 0.035608 0.051456 0.028610 -0.197462 0.030849 0.038548 0.039997 -0.00000 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.9884 0.3733 0.8658 2.2006 -82.7166 -83.8464 -93.0521 2.2192 2.8418 -4.1803 3.8217 2.6920 -6.5137 2.2192 2.8418 -4.1803 26.2398 17.9451 2.4567 17.4445 -7.6780 8.1476 4.9062 -0.9545 -2.6334 -6.4697 -2200.4218 -793.5011 -573.4607 -7.7699 39.2992 17.3275 -2.4736 -1.3642 -13.7412 -479.7810 -464.7524 -221.8288 -26.8984 4.6115 -18.6337 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1447.8876732 5.753E-9 1.509E-5 -2.6436121,-0.7968954,3.4405074,4.5756976,-1.0359752,1.6942848 C01 [X(C5H13N3S2Si1)] 0.5716864 0.5405814 0.3613266 0.000000540 0.000032918 -0.000019911 0.000076425 -0.000011698 0.000012727 -0.000066936 -0.000025922 0.000021669 -0.000006907 0.000008842 -0.000002561 0.000001771 -0.000013803 0.000007380 0.000001817 -0.000007208 -0.000011812 -0.000001829 0.000003152 0.000000909 -0.000002614 -0.000000729 0.000001007 -0.000001084 0.000000622 0.000002350 0.000001240 -0.000004155 0.000004213 0.000001232 0.000022893 -0.000023713 0.000003245 -0.000014851 0.000017569 0.000001755 -0.000008751 -0.000013680 -0.000000096 0.000003941 -0.000005824 0.000006180 0.000005528 0.000000147 -0.000011613 0.000000947 0.000010668 -0.000006524 0.000004305 0.000002215 -0.000004342 0.000002691 -0.000005550 0.000004359 0.000000144 0.000001641 0.000004174 -0.000001312 -0.000002285 -0.000004938 -0.000002238 0.000004537 0.000001399 -0.000000175 0.000000283 0.000001932 0.000003818 -0.000000228 0.000000814 0.000001038 -0.000001750 194.28909999999996 AuxInfo=1/0/N:1;6;13;17;21;3;4;11;2;5;12;7;8;9;10;14;15;16;18;19;20;22;23;24/rA:24nC0S0N0N0S0C0H0H0H0H0N0Si0C0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;/rC:-.6248,.6555,-.8312;-2.3194,-.8621,.1996;-.6483,-.4317,-.1454;-3.1376,.3092,-.5235;-2.1143,1.4829,-1.2072;-2.32,-.6703,1.9897;-3.342,-.8889,2.3243;-1.6061,-1.3945,2.4016;-2.0325,.3631,2.2206;.3174,1.0885,-1.19;-2.7249,-2.3007,-.0403;-3.0792,-2.9518,-1.6475;-1.9743,-2.1478,-2.9465;-.9105,-2.2576,-2.6817;-2.1303,-2.6092,-3.9358;-2.1955,-1.0721,-3.0378;-4.8859,-2.6175,-2.037;-5.5418,-3.0841,-1.2842;-5.0693,-1.5314,-2.0216;-5.1683,-3.0088,-3.0284;-2.7356,-4.7938,-1.5368;-2.9696,-5.2989,-2.4885;-1.6759,-4.9812,-1.2999;-3.3459,-5.2565,-.7446; Gaussian 16 GINC-LOCALHOST WILLIAM Title Card Required ES64L-G16RevA.03 66 C1[X(C5H13N3S2Si)] RB3LYP def2SVP Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/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 0 194.28909999999996 AuxInfo=1/0/N:1;6;13;17;21;3;4;11;2;5;12;7;8;9;10;14;15;16;18;19;20;22;23;24/rA:24nC0S0N0N0S0C0H0H0H0H0N0Si0C0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;/rC:-.6248,.6555,-.8312;-2.3194,-.8621,.1996;-.6483,-.4317,-.1454;-3.1376,.3091,-.5235;-2.1143,1.4829,-1.2072;-2.32,-.6703,1.9897;-3.342,-.8889,2.3243;-1.6061,-1.3945,2.4016;-2.0325,.3631,2.2206;.3174,1.0885,-1.19;-2.7249,-2.3007,-.0403;-3.0792,-2.9518,-1.6475;-1.9743,-2.1478,-2.9465;-.9105,-2.2576,-2.6817;-2.1303,-2.6092,-3.9358;-2.1955,-1.0721,-3.0378;-4.8859,-2.6175,-2.037;-5.5418,-3.0841,-1.2842;-5.0693,-1.5314,-2.0216;-5.1683,-3.0088,-3.0284;-2.7356,-4.7938,-1.5368;-2.9696,-5.2989,-2.4885;-1.6759,-4.9812,-1.2999;-3.3459,-5.2565,-.7446; Title Card Required Redundant internal coordinates found in file. (old form). Charge = 0 Multiplicity = 1 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 1 1 1 2 2 2 2 4 6 6 6 11 12 12 12 13 13 13 17 17 17 21 21 21 3 5 10 3 4 6 11 5 7 8 9 12 13 17 21 14 15 16 18 19 20 22 23 24 1.2856 1.7449 1.0972 1.7598 1.6012 1.8004 1.5138 1.7007 1.0974 1.0972 1.0972 1.7699 1.8854 1.8782 1.8771 1.1018 1.1027 1.102 1.102 1.1016 1.1027 1.1026 1.1019 1.1018 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 3 3 5 3 3 3 4 4 6 1 2 1 2 2 2 7 7 8 2 11 11 11 13 13 17 12 12 12 14 14 15 12 12 12 18 18 19 12 12 12 22 22 23 1 1 1 2 2 2 2 2 2 3 4 5 6 6 6 6 6 6 11 12 12 12 12 12 12 13 13 13 13 13 13 17 17 17 17 17 17 21 21 21 21 21 21 5 10 10 4 6 11 6 11 11 2 5 4 7 8 9 8 9 9 12 13 17 21 17 21 21 14 15 16 15 16 16 18 19 20 19 20 20 22 23 24 23 24 24 120.0257 121.5951 118.3788 102.5825 99.739 117.1093 111.7722 119.1251 104.9916 109.191 112.2663 95.7205 106.3928 107.6218 108.0253 111.1031 111.5614 111.8536 123.167 110.5786 108.3862 105.7102 110.1783 110.5984 111.2841 110.9574 110.9058 110.8386 108.0916 108.1175 107.8049 110.8244 109.4369 111.696 107.9853 108.15 108.6478 111.0884 110.834 110.6729 108.1684 108.0969 107.8596 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 5 10 3 10 4 6 11 3 6 11 3 3 3 4 4 4 11 11 11 3 4 6 2 2 2 2 11 11 11 17 17 17 21 21 21 11 11 11 13 13 13 21 21 21 11 11 11 13 13 13 17 17 17 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 4 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 3 3 5 5 3 3 3 4 4 4 6 6 6 6 6 6 6 6 6 11 11 11 5 12 12 12 13 13 13 13 13 13 13 13 13 17 17 17 17 17 17 17 17 17 21 21 21 21 21 21 21 21 21 2 2 4 4 1 1 1 5 5 5 7 8 9 7 8 9 7 8 9 12 12 12 1 13 17 21 14 15 16 14 15 16 14 15 16 18 19 20 18 19 20 18 19 20 22 23 24 22 23 24 22 23 24 2.5401 -177.6958 -4.3811 175.8473 0.6697 -114.4121 133.0858 -3.518 102.4909 -134.73 178.3669 -62.4748 58.4614 70.5148 -170.3269 -49.3907 -59.9914 59.1669 -179.8969 -78.6026 45.8265 171.8963 4.3855 34.5631 -86.3053 154.2978 55.0628 175.2132 -65.0755 174.8597 -64.99 54.7214 -61.6867 58.4637 178.175 -58.9479 60.0342 -179.6128 179.9361 -61.0818 59.2712 56.8827 175.8648 -63.7822 177.6506 -62.0629 57.5617 -62.6278 57.6587 177.2833 60.1846 -179.5289 -59.9043 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00113 0.00133 0.00149 0.00176 0.00236 0.00434 0.01453 0.02112 0.02770 0.02885 0.02920 0.03165 0.03197 0.03279 0.03868 0.03960 0.04064 0.04117 0.04374 0.04528 0.05630 0.06852 0.06898 0.08087 0.08707 0.09438 0.09991 0.10016 0.10051 0.10142 0.10479 0.10603 0.11044 0.11178 0.11376 0.11646 0.12732 0.12846 0.13345 0.14523 0.14867 0.16936 0.18517 0.18752 0.18955 0.19868 0.21188 0.25729 0.27560 0.28620 0.33606 0.33639 0.33731 0.33782 0.33855 0.33886 0.34090 0.34103 0.34129 0.34888 0.35035 0.35155 0.35168 0.36356 0.56475 0.62632 Angle between quadratic step and forces= 70.90 degrees. 1 2 0.00060042 0.00000030 0.00000023 0.00000006 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 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 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 2.42941 3.29743 2.07349 3.32553 3.02587 3.40228 2.86074 3.21390 2.07385 2.07340 2.07341 3.34461 3.56290 3.54921 3.54721 2.08212 2.08377 2.08246 2.08254 2.08170 2.08373 2.08355 2.08223 2.08218 2.09484 2.12224 2.06610 1.79040 1.74077 2.04394 1.95079 2.07913 1.83245 1.90574 1.95942 1.67064 1.85690 1.87835 1.88540 1.93912 1.94711 1.95221 2.14967 1.92996 1.89170 1.84499 1.92297 1.93031 1.94227 1.93657 1.93567 1.93450 1.88655 1.88701 1.88155 1.93425 1.91003 1.94946 1.88470 1.88757 1.89626 1.93886 1.93442 1.93161 1.88790 1.88665 1.88251 0.04433 -3.10138 -0.07647 3.06912 0.01169 -1.99687 2.32279 -0.06140 1.78880 -2.35148 3.11309 -1.09039 1.02034 1.23072 -2.97277 -0.86203 -1.04705 1.03266 -3.13979 -1.37187 0.79982 3.00016 0.07654 0.60324 -1.50631 2.69300 0.96103 3.05805 -1.13578 3.05188 -1.13429 0.95507 -1.07664 1.02038 3.10974 -1.02884 1.04779 -3.13483 3.14048 -1.06608 1.03448 0.99279 3.06942 -1.11321 3.10059 -1.08320 1.00464 -1.09306 1.00633 3.09418 1.05042 -3.13337 -1.04553 0.00002 -0.00001 -0.00000 -0.00006 0.00001 -0.00001 -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 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 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 0.00005 0.00000 0.00001 -0.00001 -0.00002 0.00001 0.00001 0.00001 0.00001 -0.00003 -0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00016 -0.00024 -0.00002 -0.00083 0.00019 -0.00011 -0.00005 -0.00013 0.00001 -0.00001 -0.00000 -0.00017 0.00005 0.00005 -0.00003 -0.00001 -0.00002 0.00003 -0.00002 0.00000 0.00001 -0.00001 0.00000 -0.00001 -0.00015 -0.00006 0.00021 0.00004 0.00034 -0.00004 -0.00037 0.00009 -0.00004 0.00020 -0.00006 0.00006 -0.00008 0.00009 0.00004 -0.00003 -0.00008 0.00005 0.00050 -0.00009 0.00011 -0.00005 -0.00045 0.00030 0.00019 0.00024 0.00026 -0.00048 0.00001 -0.00002 -0.00001 0.00032 -0.00018 -0.00014 0.00001 0.00001 -0.00001 0.00010 -0.00011 -0.00004 0.00002 0.00003 0.00000 0.00029 0.00036 0.00053 0.00047 -0.00104 -0.00076 -0.00091 0.00139 0.00167 0.00134 -0.00105 -0.00108 -0.00094 -0.00114 -0.00116 -0.00103 -0.00097 -0.00099 -0.00085 -0.00012 -0.00001 -0.00049 -0.00120 0.00018 0.00071 0.00046 -0.00015 0.00020 0.00003 -0.00035 -0.00001 -0.00017 -0.00021 0.00013 -0.00003 -0.00063 -0.00054 -0.00076 -0.00032 -0.00023 -0.00045 -0.00052 -0.00043 -0.00066 0.00027 0.00029 0.00020 0.00029 0.00031 0.00022 0.00007 0.00009 -0.00000 0.00016 -0.00024 -0.00002 -0.00083 0.00019 -0.00011 -0.00005 -0.00013 0.00001 -0.00001 -0.00000 -0.00017 0.00005 0.00005 -0.00003 -0.00001 -0.00002 0.00003 -0.00002 0.00000 0.00001 -0.00001 0.00000 -0.00001 -0.00015 -0.00006 0.00021 0.00004 0.00034 -0.00004 -0.00037 0.00009 -0.00004 0.00020 -0.00006 0.00006 -0.00008 0.00009 0.00004 -0.00003 -0.00008 0.00005 0.00050 -0.00009 0.00011 -0.00005 -0.00045 0.00030 0.00019 0.00024 0.00026 -0.00048 0.00001 -0.00002 -0.00001 0.00032 -0.00018 -0.00015 0.00001 0.00001 -0.00001 0.00010 -0.00011 -0.00004 0.00002 0.00003 0.00000 0.00029 0.00036 0.00053 0.00047 -0.00104 -0.00076 -0.00091 0.00139 0.00167 0.00134 -0.00105 -0.00108 -0.00094 -0.00114 -0.00116 -0.00102 -0.00097 -0.00099 -0.00085 -0.00012 -0.00001 -0.00049 -0.00120 0.00018 0.00071 0.00046 -0.00015 0.00020 0.00003 -0.00035 -0.00001 -0.00017 -0.00021 0.00013 -0.00003 -0.00063 -0.00054 -0.00076 -0.00032 -0.00023 -0.00045 -0.00052 -0.00043 -0.00066 0.00027 0.00029 0.00020 0.00029 0.00031 0.00022 0.00007 0.00009 -0.00000 2.42956 3.29719 2.07347 3.32470 3.02606 3.40217 2.86069 3.21377 2.07386 2.07340 2.07341 3.34443 3.56295 3.54926 3.54717 2.08211 2.08375 2.08249 2.08252 2.08170 2.08374 2.08354 2.08223 2.08217 2.09470 2.12217 2.06631 1.79044 1.74111 2.04390 1.95042 2.07922 1.83241 1.90595 1.95936 1.67070 1.85683 1.87844 1.88544 1.93909 1.94704 1.95227 2.15017 1.92987 1.89181 1.84494 1.92253 1.93061 1.94246 1.93681 1.93593 1.93402 1.88657 1.88699 1.88154 1.93457 1.90985 1.94932 1.88471 1.88758 1.89625 1.93896 1.93431 1.93156 1.88791 1.88667 1.88251 0.04463 -3.10102 -0.07594 3.06958 0.01065 -1.99763 2.32187 -0.06001 1.79047 -2.35014 3.11204 -1.09147 1.01941 1.22958 -2.97393 -0.86306 -1.04801 1.03167 -3.14065 -1.37199 0.79981 2.99967 0.07535 0.60342 -1.50560 2.69347 0.96088 3.05824 -1.13575 3.05152 -1.13430 0.95489 -1.07685 1.02052 3.10971 -1.02946 1.04726 -3.13560 3.14016 -1.06630 1.03402 0.99227 3.06899 -1.11387 3.10086 -1.08291 1.00484 -1.09277 1.00665 3.09440 1.05049 -3.13328 -1.04553 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000058 0.000009 0.002019 0.000600 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -8.567672e-08 def2SVP (5D, 7F) 242 A 231 A 231 402 242 55 55 1008.1319907801 24 24 24 1.00e+00 60 F 0.000000 2.497396 0.000000 1.285588 1.759797 0.000000 2.555155 1.601219 2.624592 0.000000 1.744924 2.742278 2.634860 1.700723 0.000000 3.548048 1.800408 2.722182 2.818504 3.859944 0.000000 4.441345 2.358193 3.683056 3.096296 4.427732 1.097434 0.000000 3.951703 2.375152 2.886439 3.715390 4.643450 1.097198 1.809772 0.000000 3.373450 2.380726 2.854062 2.958709 3.607006 1.097204 1.814727 1.817673 0.000000 1.097245 3.562050 2.082007 3.603938 2.463480 4.489952 5.445358 4.771231 4.204776 0.000000 3.711454 1.513836 2.795807 2.686112 4.006322 2.635001 2.822313 2.834739 3.561872 4.697236 0.000000 4.438777 2.890645 3.810038 3.449702 4.559779 4.360157 4.483275 4.581512 5.200581 5.298102 1.769890 0.000000 3.762215 3.416166 3.542549 3.641565 4.028266 5.164231 5.589048 5.413464 5.745184 4.337136 3.005511 1.885407 0.000000 3.462926 3.497720 3.136104 4.025664 4.196985 5.131084 5.731103 5.202697 5.670881 3.863808 3.204801 2.500956 1.101811 0.000000 4.750099 4.493302 4.615736 4.601699 4.918444 6.237596 6.604337 6.474034 6.837071 5.215686 3.952720 2.500875 1.102681 1.784507 0.000000 3.212595 3.246563 3.342142 3.019498 3.144161 5.045123 5.486422 5.480754 5.453176 3.794304 3.282551 2.499475 1.101993 1.784242 1.781410 0.000000 5.506664 3.830210 5.129625 3.729957 5.018365 5.156542 4.938868 5.652773 5.928974 6.444045 2.959225 1.878162 3.086293 4.043391 3.346517 3.260144 0.000000 6.194040 4.186000 5.681387 4.227625 5.710623 5.188946 4.762273 5.650638 6.040021 7.193658 3.177394 2.492711 4.045566 4.907610 4.346815 4.280312 1.102032 0.000000 5.094472 3.597733 4.926985 3.060019 4.299058 4.938755 4.720530 5.619404 5.550473 6.047482 3.164466 2.473450 3.288548 4.273065 3.669333 3.082678 1.101586 1.782599 0.000000 6.236853 4.810887 5.948428 4.626810 5.728829 6.226041 6.039966 6.691838 6.982495 7.089438 3.924370 2.504909 3.309012 4.337463 3.195730 3.548068 1.102663 1.785330 1.790571 0.000000 5.886245 4.318202 5.031959 5.218118 6.316034 5.441737 5.524877 5.323693 6.419191 6.636441 2.907777 1.877100 3.093296 3.327769 3.300670 4.049238 3.100073 3.295728 4.040406 3.365958 0.000000 6.610581 5.228224 5.879494 5.944763 6.954647 6.473084 6.538361 6.404410 7.423765 7.299979 3.878515 2.495696 3.336207 3.677918 3.167662 4.332160 3.326575 3.601648 4.338333 3.220354 1.102568 0.000000 5.752987 4.430585 4.804888 5.543242 6.479685 5.460817 5.714706 5.154618 6.409582 6.389602 3.141989 2.491759 3.290767 3.148561 3.575108 4.309538 4.053954 4.306315 4.892604 4.367541 1.101869 1.785329 0.000000 6.508658 4.610418 5.560062 5.573899 6.866612 5.437107 5.337971 5.276375 6.488221 7.340053 3.101312 2.489556 4.048903 4.321626 4.320834 4.908308 3.317512 3.135661 4.298486 3.686346 1.101842 1.784500 1.781251 0.000000 C5H13N3S2Si 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 0 194.28909999999996 AuxInfo=1/0/N:1;6;13;17;21;3;4;11;2;5;12;7;8;9;10;14;15;16;18;19;20;22;23;24/rA:24nC0S0N0N0S0C0H0H0H0H0N0Si0C0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;/rC:2.2716,-.6757,1.1484;.7086,.8404,-.0745;1.5191,.335,1.4035;1.252,-.2153,-1.1488;2.4049,-1.2748,-.485;1.4585,2.4624,-.2938;1.0425,2.873,-1.2226;1.1782,3.0775,.5704;2.5452,2.3274,-.3638;2.8447,-1.1792,1.9371;-.7794,1.1052,.0107;-1.9932,-.1829,.0208;-1.342,-1.6999,.9316;-1.0105,-1.4366,1.9488;-2.123,-2.4738,1.0155;-.4863,-2.1414,.3958;-2.4052,-.6226,-1.758;-2.7882,.257,-2.3004;-1.4936,-.968,-2.2709;-3.1654,-1.4193,-1.8154;-3.4847,.5311,.9092;-4.3176,-.1911,.9295;-3.2325,.7941,1.9491;-3.8367,1.4455,.4053; 1.2140265 0.5358708 0.4837220 1 -1447.88767320 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=111111111111111111111111 Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=397485490. There are 75 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 72 vectors produced by pass 0 Test12= 1.29D-14 1.33D-09 XBig12= 1.25D+02 5.62D+00. AX will form 72 AO Fock derivatives at one time. 72 vectors produced by pass 1 Test12= 1.29D-14 1.33D-09 XBig12= 4.22D+01 1.13D+00. 72 vectors produced by pass 2 Test12= 1.29D-14 1.33D-09 XBig12= 3.72D-01 7.54D-02. 72 vectors produced by pass 3 Test12= 1.29D-14 1.33D-09 XBig12= 1.65D-03 4.51D-03. 72 vectors produced by pass 4 Test12= 1.29D-14 1.33D-09 XBig12= 3.51D-06 3.59D-04. 48 vectors produced by pass 5 Test12= 1.29D-14 1.33D-09 XBig12= 3.78D-09 7.69D-06. 11 vectors produced by pass 6 Test12= 1.29D-14 1.33D-09 XBig12= 3.01D-12 1.63D-07. 3 vectors produced by pass 7 Test12= 1.29D-14 1.33D-09 XBig12= 2.65D-15 5.34D-09. InvSVY: IOpt=1 It= 1 EMax= 8.88D-15 Solved reduced A of dimension 422 with 75 vectors. Isotropic polarizability for W= 0.000000 126.73 Bohr**3. End of Minotr F.D. properties file 721 does not exist. PT3442.800S 2025-10-20T13:12:23.000 -89.04919 -88.89916 -66.10722 -14.34970 -14.32090 -14.29042 -10.27686 -10.22867 -10.15725 -10.15620 -10.15231 -8.11680 -7.99262 -6.08575 -6.08371 -6.08281 -5.96219 -5.95730 -5.95205 -5.27100 -3.63449 -3.63225 -3.63196 -1.02450 -0.91390 -0.87026 -0.77632 -0.73218 -0.69698 -0.66315 -0.65984 -0.62587 -0.59700 -0.52495 -0.49081 -0.48466 -0.44635 -0.44337 -0.42065 -0.41304 -0.40241 -0.39853 -0.39515 -0.38298 -0.38088 -0.37151 -0.36923 -0.33657 -0.32409 -0.30837 -0.30396 -0.29268 -0.27041 -0.26022 -0.21406 -0.04166 -0.01396 0.03564 0.05409 0.06238 0.06838 0.07962 0.08713 0.09581 0.10136 0.10532 0.11233 0.12163 0.12440 0.12782 0.13274 0.14145 0.15180 0.15573 0.15913 0.17636 0.19366 0.20189 0.22576 0.26308 0.30311 0.34690 0.36155 0.37316 0.38404 0.39144 0.41045 0.42245 0.42335 0.44659 0.46950 0.47443 0.50345 0.53852 0.54694 0.55430 0.56019 0.57767 0.57971 0.58747 0.58954 0.59539 0.60161 0.60494 0.61211 0.62647 0.63123 0.63423 0.64318 0.65227 0.65451 0.65829 0.66140 0.66718 0.67076 0.67771 0.68276 0.68769 0.69463 0.70014 0.70767 0.72546 0.72892 0.74288 0.76698 0.79709 0.81546 0.82918 0.83361 0.84954 0.87611 0.87631 0.89257 0.91822 0.92910 0.93412 0.94170 0.96172 0.97957 0.99264 1.01158 1.03474 1.07317 1.08510 1.08604 1.09504 1.10729 1.17343 1.18853 1.19977 1.21195 1.24870 1.26852 1.27205 1.30477 1.32744 1.37853 1.44318 1.46977 1.48043 1.50651 1.54120 1.54359 1.54888 1.55853 1.64050 1.69996 1.71792 1.73012 1.73172 1.73385 1.75477 1.76773 1.79049 1.80519 1.82249 1.82595 1.85099 1.92748 1.93378 1.94131 1.94361 1.94671 1.95754 1.95883 1.96683 1.98745 2.01332 2.01568 2.05290 2.15216 2.20675 2.22588 2.23710 2.25917 2.26794 2.27751 2.28187 2.28998 2.31965 2.38989 2.39476 2.40761 2.43759 2.44675 2.45020 2.45790 2.47141 2.47927 2.48697 2.50301 2.59222 2.64023 2.66310 2.67294 2.69265 2.70082 2.70471 2.70679 2.77669 2.85271 2.88228 2.92164 2.92509 2.93264 2.93889 2.94539 2.95140 2.96192 2.99786 3.08000 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 C S N N S C H H H H N Si C H H H C H H H C H H H -0.001608 0.605419 -0.296158 -0.539698 0.231360 0.010082 0.075697 0.076550 0.050469 0.075862 -0.515838 0.526497 -0.236646 0.041310 0.034116 0.039936 -0.204957 0.035608 0.051456 0.028610 -0.197462 0.030849 0.038548 0.039997 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 11 12 13 17 21 C S N N S C N Si C C C 0.074255 0.605419 -0.296158 -0.539698 0.231360 0.212798 -0.515838 0.526497 -0.121285 -0.089283 -0.088067 0.00000 146.141 -10.905 122.472 3.312 0.552 111.574 207.364 -35.558 196.200 0.679 19.137 203.154 -6.2136 -0.0033 -0.0031 -0.0028 1.3792 6.6263 34.2888 45.0511 67.2739 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 34.2421 45.0457 67.2734 106.8318 154.2335 167.0590 172.2853 173.9832 191.2836 195.5164 213.3767 216.2138 236.9311 263.2722 286.2904 372.1975 385.9893 477.6531 495.0238 536.7216 602.1357 631.1590 677.6823 681.4148 688.7205 695.5404 717.9840 740.3679 769.1041 775.1347 813.6117 858.8747 860.1871 865.2177 871.8229 927.9328 944.3376 1005.1846 1231.5885 1252.0932 1265.8805 1268.7493 1274.9221 1308.5085 1420.9511 1422.8211 1423.7610 1432.3721 1432.5513 1435.5470 1442.3348 1452.3302 1560.5576 3025.0943 3025.8929 3027.9935 3061.8059 3113.4058 3114.9841 3117.5619 3122.0623 3122.5607 3125.8594 3163.7199 3190.5015 3193.8729 3.8171 7.1010 4.1801 4.2507 1.0171 2.7075 2.2526 1.1037 1.3905 1.2757 1.8607 1.8751 2.8580 2.7839 3.4393 6.6614 5.0534 8.0018 6.8222 10.2858 3.9359 9.9914 8.3638 1.1816 2.1048 1.9999 3.7804 5.1976 1.5513 1.7465 3.6003 1.3740 1.6336 1.6910 1.7340 2.3171 1.8424 1.9183 1.2895 5.1814 1.2859 1.3231 1.2894 1.2615 1.0485 1.0508 1.0526 1.0500 1.0515 1.0485 1.0492 1.0470 9.8007 1.0353 1.0353 1.0354 1.0275 1.1018 1.1020 1.1018 1.1024 1.1021 1.1024 1.0933 1.1104 1.1093 0.0026 0.0085 0.0111 0.0286 0.0143 0.0445 0.0394 0.0197 0.0300 0.0287 0.0499 0.0516 0.0945 0.1137 0.1661 0.5437 0.4436 1.0756 0.9850 1.7458 0.8408 2.3451 2.2631 0.3233 0.5882 0.5700 1.1482 1.6786 0.5407 0.6183 1.4042 0.5972 0.7122 0.7459 0.7765 1.1755 0.9680 1.1420 1.1524 4.7860 1.2141 1.2549 1.2349 1.2726 1.2473 1.2533 1.2571 1.2693 1.2714 1.2730 1.2860 1.3012 14.0626 5.5822 5.5852 5.5932 5.6753 6.2923 6.3002 6.3091 6.3310 6.3314 6.3467 6.4475 6.6595 6.6671 0.1279 0.8807 2.8258 3.7065 0.0166 0.3375 0.9056 0.4518 1.0013 0.7026 1.7858 0.5433 6.2221 7.7589 17.3689 5.9404 11.3934 1.5528 34.7923 27.7467 6.3345 4.9719 20.3922 0.4345 4.4545 5.0372 11.7595 48.6598 23.0400 42.1136 48.3046 10.7784 93.4798 88.7951 258.8389 67.2109 22.0018 83.0625 22.2026 542.0235 47.8518 23.8914 69.2626 41.7800 7.0966 8.2616 0.1192 2.0912 0.6171 4.5699 1.9031 9.8160 160.9843 5.5660 4.3099 6.9242 0.4805 4.8953 4.1065 20.9712 3.3792 10.3905 5.2106 1.1509 0.9894 0.6145 -0.02 -0.07 -0.07 0.00 0.03 0.03 0.04 -0.04 -0.02 -0.01 0.09 -0.04 -0.09 -0.02 -0.09 -0.01 0.04 0.08 -0.03 0.08 0.10 -0.00 0.01 0.11 -0.01 0.05 0.06 -0.03 -0.13 -0.10 0.00 0.02 0.08 0.03 -0.00 0.03 -0.02 0.07 0.20 -0.09 0.15 0.20 -0.01 0.07 0.20 0.02 0.03 0.29 0.23 -0.14 0.02 0.23 -0.20 -0.07 0.30 -0.13 0.13 0.27 -0.19 0.00 -0.08 0.02 -0.17 -0.06 -0.00 -0.21 -0.19 0.09 -0.16 -0.05 -0.03 -0.27 0.13 0.03 -0.04 -0.03 -0.09 0.02 -0.05 -0.14 0.04 -0.09 -0.12 0.02 0.26 0.17 -0.10 0.05 -0.11 0.11 0.05 -0.02 0.15 0.12 -0.16 0.17 0.04 -0.17 0.07 0.24 0.08 -0.08 -0.02 -0.04 -0.04 -0.09 0.03 0.01 -0.17 0.06 0.13 -0.17 0.12 0.11 -0.20 0.10 0.17 -0.19 0.00 0.16 -0.07 -0.08 0.03 -0.01 -0.10 -0.05 -0.08 -0.17 0.07 -0.11 -0.04 0.07 -0.08 0.18 -0.09 -0.12 0.23 -0.06 -0.10 0.24 -0.10 -0.01 0.16 -0.17 0.17 0.11 -0.03 -0.01 -0.02 0.05 0.17 0.10 -0.01 -0.15 -0.11 0.07 -0.01 -0.01 -0.00 -0.03 -0.04 -0.16 -0.12 -0.12 -0.15 0.07 0.03 -0.18 -0.03 -0.05 -0.26 0.29 0.19 -0.06 -0.00 -0.01 0.19 -0.02 -0.00 0.01 -0.11 -0.07 -0.04 -0.18 -0.14 0.00 -0.12 -0.07 -0.15 -0.07 -0.03 -0.01 0.13 0.16 -0.06 0.20 0.21 -0.01 0.18 0.19 -0.00 0.12 0.18 -0.20 -0.09 -0.05 -0.07 -0.10 -0.04 -0.21 -0.19 -0.14 -0.02 -0.03 0.00 -0.02 0.04 -0.01 -0.01 0.06 0.00 -0.01 0.10 0.04 -0.04 0.24 0.14 -0.06 0.02 -0.04 0.01 -0.17 0.11 -0.00 -0.20 0.02 -0.03 -0.32 0.08 -0.04 -0.15 0.29 0.05 -0.01 -0.04 0.01 0.04 -0.15 0.04 -0.05 -0.04 0.02 -0.22 -0.11 0.02 -0.30 -0.18 0.06 -0.26 -0.08 -0.10 -0.18 -0.13 0.08 -0.07 -0.01 0.02 0.04 0.03 0.01 -0.11 -0.12 0.02 -0.17 0.08 0.01 0.01 0.14 -0.02 -0.09 0.25 -0.04 0.02 0.11 -0.02 0.15 0.18 -0.04 0.01 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 0.01 -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 -0.01 -0.01 -0.01 -0.10 -0.04 0.03 0.01 -0.04 -0.10 0.05 0.04 0.04 0.00 0.01 -0.01 0.20 0.07 -0.05 -0.04 -0.17 0.04 -0.14 0.15 -0.02 0.00 -0.01 0.00 0.19 -0.21 0.47 0.16 0.47 -0.15 -0.34 -0.30 -0.28 -0.11 -0.04 0.01 -0.01 -0.01 -0.04 -0.13 -0.06 -0.01 0.08 0.04 -0.05 0.05 0.04 -0.00 0.02 -0.04 -0.11 0.20 -0.20 -0.27 -0.14 0.11 -0.28 0.04 -0.05 0.10 -0.18 -0.08 0.04 -0.00 -0.00 -0.01 -0.00 0.01 0.05 -0.08 -0.00 0.09 -0.25 -0.02 0.15 -0.10 -0.01 -0.04 -0.00 0.00 0.22 0.15 0.11 -0.01 0.32 0.20 0.01 0.20 0.09 0.10 0.08 0.19 -0.21 -0.01 -0.08 0.10 0.01 -0.11 0.04 -0.01 -0.19 0.13 -0.06 -0.04 0.21 -0.03 0.02 0.00 -0.03 0.01 0.00 -0.05 0.01 0.01 -0.07 -0.02 0.01 -0.02 0.03 -0.00 0.01 -0.00 -0.00 -0.03 0.03 0.03 0.07 -0.02 0.03 -0.00 -0.04 -0.06 -0.03 0.02 -0.00 -0.02 0.02 0.01 0.02 -0.02 -0.00 -0.07 -0.11 -0.08 -0.16 -0.26 -0.01 -0.11 -0.09 -0.27 -0.03 -0.07 -0.06 0.13 -0.09 -0.01 -0.06 -0.21 -0.06 0.25 0.12 0.06 0.34 -0.29 -0.03 0.14 0.13 0.08 0.05 0.25 0.26 0.34 0.19 0.02 0.20 0.15 0.06 0.01 -0.01 -0.00 0.01 -0.01 0.00 0.01 -0.01 -0.00 0.04 0.01 -0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.02 0.03 -0.05 -0.05 -0.06 0.03 -0.06 -0.00 0.01 0.04 0.00 -0.01 0.00 0.01 -0.01 0.01 -0.02 0.01 0.00 -0.02 0.02 0.01 0.04 0.04 -0.01 -0.03 0.04 0.07 -0.05 -0.02 -0.02 -0.01 0.03 -0.00 -0.50 -0.10 0.14 0.10 0.52 -0.13 0.37 -0.33 -0.01 -0.04 -0.02 -0.01 0.05 -0.12 0.15 -0.01 0.17 -0.06 -0.19 -0.14 -0.12 0.00 -0.02 -0.00 0.00 0.01 0.04 0.00 -0.02 0.03 -0.01 0.03 0.01 -0.01 0.02 -0.02 0.03 -0.03 -0.05 0.39 -0.31 -0.34 -0.32 0.22 -0.35 0.06 -0.02 0.40 0.01 -0.03 -0.02 0.00 0.02 0.05 0.01 0.01 0.01 0.04 -0.02 -0.06 -0.01 -0.11 -0.02 0.08 -0.08 -0.18 0.08 0.08 -0.08 -0.04 -0.06 0.04 -0.05 -0.09 -0.01 -0.08 -0.12 0.02 -0.07 -0.04 0.13 -0.02 0.03 -0.05 -0.03 0.05 -0.07 -0.07 0.07 -0.05 0.03 0.02 -0.10 0.01 -0.01 -0.00 -0.02 -0.02 0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.07 0.01 -0.00 0.02 -0.10 -0.09 -0.24 0.06 -0.09 -0.05 0.08 0.15 0.02 -0.00 -0.01 -0.02 -0.02 0.01 -0.01 -0.02 -0.01 0.05 0.01 0.01 0.50 0.17 -0.18 -0.04 0.16 0.49 -0.23 -0.22 -0.24 0.05 0.04 -0.04 0.16 0.09 -0.03 0.07 0.00 0.02 -0.00 0.10 -0.14 0.04 0.05 0.01 0.01 0.10 0.12 0.12 0.12 -0.03 0.06 0.04 -0.03 -0.02 -0.02 0.01 -0.02 -0.04 -0.00 -0.03 -0.04 -0.00 0.01 -0.02 -0.01 0.02 -0.01 0.00 -0.11 -0.00 -0.02 -0.22 0.00 0.04 -0.07 -0.05 0.03 -0.11 0.07 -0.12 -0.03 -0.02 0.01 -0.02 -0.03 0.01 -0.01 -0.02 0.03 0.16 0.03 0.00 -0.11 0.01 0.10 0.40 -0.23 -0.25 0.41 0.37 0.12 0.02 0.08 0.00 0.00 0.14 0.10 0.04 0.18 -0.02 0.05 0.06 -0.11 0.00 0.10 -0.05 -0.09 0.21 -0.04 -0.03 0.17 -0.06 0.15 0.10 -0.15 0.07 0.03 -0.02 -0.01 -0.01 0.01 0.06 0.02 -0.00 -0.04 -0.04 0.02 -0.02 -0.03 -0.01 -0.05 0.02 0.09 0.20 -0.08 -0.07 -0.37 0.06 -0.04 -0.02 0.11 0.43 0.14 0.07 -0.04 -0.01 -0.00 -0.06 -0.01 -0.00 -0.07 -0.02 0.08 0.07 -0.34 0.19 0.15 0.06 -0.02 -0.09 0.18 0.17 0.33 -0.00 0.00 -0.08 -0.03 -0.00 -0.06 0.01 0.05 -0.08 0.02 -0.02 -0.10 0.07 -0.03 0.07 0.05 -0.00 0.10 0.21 -0.16 0.07 0.04 0.04 0.22 0.05 -0.01 -0.00 0.00 -0.03 -0.00 0.04 -0.02 -0.01 0.07 -0.00 -0.01 0.03 -0.04 0.01 -0.07 0.00 0.01 -0.12 -0.00 0.03 -0.10 -0.03 0.03 -0.06 0.08 -0.02 0.06 0.00 -0.00 0.00 0.01 -0.01 -0.10 0.12 0.01 0.03 0.09 -0.15 0.13 -0.02 -0.15 0.12 0.00 -0.17 0.01 0.25 -0.31 0.11 -0.11 0.02 0.22 -0.25 -0.28 0.23 -0.22 0.31 0.14 -0.14 0.04 -0.12 -0.00 0.11 -0.04 -0.09 0.08 -0.07 -0.11 0.13 -0.23 0.02 0.25 0.02 0.08 -0.01 -0.00 -0.00 -0.10 -0.01 0.07 -0.07 -0.04 -0.08 -0.03 0.00 -0.04 0.02 0.03 0.03 0.17 0.33 0.13 0.08 -0.27 -0.08 0.15 0.06 0.07 0.53 0.06 0.16 0.01 -0.00 0.01 -0.10 0.01 -0.00 0.10 0.00 -0.09 -0.03 0.09 -0.27 -0.01 -0.05 -0.05 -0.09 -0.07 -0.07 -0.15 0.05 0.06 0.09 0.09 0.11 0.14 0.09 0.12 0.11 0.06 0.06 -0.03 -0.07 0.01 -0.03 -0.05 -0.01 -0.13 -0.25 0.09 -0.01 -0.01 -0.03 -0.16 0.06 0.10 -0.02 -0.04 -0.00 0.00 0.04 0.08 -0.01 0.11 0.13 -0.07 -0.06 0.01 0.01 0.21 -0.13 0.04 0.37 0.01 0.03 0.38 -0.08 0.06 0.17 -0.44 0.07 0.11 0.13 -0.03 -0.05 -0.10 0.02 -0.12 -0.08 -0.00 0.05 0.00 0.02 0.07 0.13 -0.02 0.21 -0.14 0.11 0.11 0.14 -0.01 0.01 -0.00 -0.06 0.09 0.05 -0.04 0.08 0.05 0.03 0.02 0.00 -0.23 -0.04 0.05 0.04 -0.13 0.16 0.14 0.08 0.06 0.01 0.05 0.08 0.04 -0.10 0.09 -0.01 -0.00 -0.05 -0.11 -0.15 0.07 -0.17 -0.00 -0.06 -0.13 0.05 -0.01 0.05 -0.01 -0.03 0.09 0.16 0.13 0.08 -0.19 -0.20 0.15 0.01 0.01 0.27 -0.16 0.16 0.08 0.05 -0.03 0.51 0.04 0.05 -0.06 0.00 0.08 -0.02 -0.01 0.24 -0.05 0.05 0.04 0.09 0.03 0.05 0.05 -0.03 -0.03 -0.04 -0.14 -0.14 -0.14 -0.14 -0.16 -0.13 -0.05 -0.04 0.25 0.06 -0.01 -0.02 0.07 -0.02 0.05 0.18 -0.06 -0.03 -0.01 0.01 0.07 0.20 0.18 -0.07 -0.09 -0.10 0.05 -0.14 -0.08 -0.00 0.16 0.12 -0.06 -0.06 -0.03 0.02 -0.11 -0.18 0.02 -0.19 -0.21 0.04 -0.05 -0.16 0.02 -0.12 -0.17 -0.07 0.43 0.37 -0.11 -0.06 0.13 -0.05 0.12 0.07 0.00 -0.02 0.01 -0.01 -0.06 -0.11 0.03 -0.19 0.18 -0.11 -0.08 -0.16 0.04 0.02 0.02 0.06 -0.03 0.01 0.08 -0.07 -0.03 -0.05 -0.02 0.05 0.19 0.09 -0.03 -0.05 0.13 -0.08 -0.11 0.01 -0.02 -0.03 0.06 -0.05 -0.07 -0.17 -0.04 0.06 0.09 -0.15 0.03 0.15 0.22 0.00 -0.07 -0.01 -0.11 -0.13 0.21 0.00 -0.12 -0.28 0.06 -0.15 -0.26 0.09 -0.22 -0.37 0.09 -0.09 -0.10 0.09 -0.29 -0.23 0.02 0.14 -0.24 -0.11 0.06 0.08 0.00 -0.01 0.07 -0.04 -0.00 0.02 -0.02 -0.02 0.07 -0.06 -0.02 0.07 -0.06 0.03 0.03 0.07 0.01 -0.01 0.02 0.04 0.02 0.08 0.05 0.00 0.11 0.04 -0.01 -0.02 0.16 -0.15 -0.12 -0.07 -0.05 0.02 -0.09 -0.04 0.01 -0.11 -0.18 0.10 -0.17 0.01 -0.08 0.34 0.14 0.06 0.07 0.07 -0.01 0.12 -0.04 -0.01 -0.08 -0.17 0.03 0.10 0.01 0.02 -0.03 -0.20 0.06 -0.10 -0.37 0.13 -0.31 -0.41 0.10 -0.18 0.24 0.04 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.05 -0.07 0.03 -0.13 0.13 -0.07 -0.04 -0.13 0.05 0.01 0.01 0.02 -0.02 0.02 0.06 -0.05 -0.02 -0.06 -0.02 0.03 0.09 0.05 -0.02 -0.03 -0.01 0.05 0.01 0.08 0.01 -0.04 0.13 -0.01 -0.06 0.20 0.02 0.20 0.01 -0.02 -0.28 0.08 -0.23 0.54 -0.05 0.02 -0.18 -0.12 0.09 0.03 0.01 0.09 -0.06 0.03 0.21 -0.01 -0.16 -0.13 0.04 0.03 0.22 0.03 0.44 -0.22 -0.11 0.04 -0.02 0.10 -0.01 -0.01 0.00 -0.01 0.00 -0.01 -0.00 0.04 -0.02 0.01 -0.02 0.01 0.01 0.01 0.01 0.00 0.00 -0.01 -0.03 -0.03 -0.04 -0.02 -0.03 -0.03 0.01 -0.01 0.05 -0.00 0.00 0.00 0.01 -0.01 0.00 0.01 -0.01 0.00 -0.02 0.00 0.02 -0.01 0.03 0.02 -0.05 0.02 -0.01 -0.02 0.01 0.05 -0.00 0.02 0.06 0.02 -0.05 -0.05 0.03 0.06 -0.01 0.11 0.10 -0.03 0.12 0.11 -0.02 0.01 -0.09 0.00 -0.01 0.04 0.03 -0.04 -0.17 -0.00 -0.03 -0.04 0.00 -0.10 0.21 -0.13 -0.09 0.29 -0.16 -0.05 0.17 -0.10 -0.09 0.30 -0.17 0.05 0.05 0.23 0.07 0.08 0.27 0.08 0.08 0.28 0.06 0.05 0.20 0.18 -0.09 -0.11 0.19 -0.10 -0.11 0.21 -0.10 -0.12 0.22 -0.10 -0.13 0.17 -0.29 -0.18 -0.03 -0.00 0.01 0.15 -0.24 -0.33 -0.02 -0.06 -0.16 -0.07 0.18 0.29 0.05 0.12 -0.02 0.08 0.14 -0.03 0.06 0.12 -0.02 0.05 0.08 0.01 0.20 -0.30 -0.21 -0.06 0.09 -0.00 -0.05 -0.06 0.00 -0.05 0.09 -0.06 -0.06 0.13 -0.07 -0.05 0.10 -0.07 -0.05 0.11 -0.06 0.01 0.01 0.11 0.05 0.07 0.19 0.04 0.06 0.12 0.01 0.03 0.01 0.07 -0.07 -0.05 -0.03 0.05 0.02 0.18 -0.02 -0.09 0.21 -0.04 -0.10 0.10 -0.08 0.05 -0.04 0.02 -0.16 0.00 -0.11 -0.18 0.18 -0.01 0.57 -0.10 0.10 -0.05 -0.04 -0.07 -0.03 0.18 0.26 0.02 -0.05 -0.26 0.10 -0.04 -0.21 0.14 0.02 -0.07 0.11 0.01 -0.10 0.04 0.02 0.05 -0.00 0.02 -0.07 0.01 -0.02 0.10 -0.02 0.08 -0.11 0.12 0.08 -0.08 0.13 0.01 0.04 -0.03 -0.07 -0.12 -0.23 -0.02 -0.10 0.01 0.05 -0.02 0.21 0.00 0.03 0.01 0.08 -0.07 -0.07 -0.10 0.01 0.04 -0.08 -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 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 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 0.01 -0.01 -0.02 0.00 0.07 0.20 -0.31 0.07 0.09 -0.12 -0.08 -0.10 0.25 -0.27 0.05 -0.04 0.01 -0.04 0.14 0.35 -0.13 0.02 -0.33 -0.10 0.10 0.02 -0.02 0.03 -0.07 0.07 -0.07 0.12 0.34 -0.24 -0.08 -0.26 0.13 0.31 0.00 0.00 0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.01 0.02 -0.00 0.04 -0.01 0.01 -0.01 -0.00 -0.02 -0.00 -0.01 -0.00 0.01 -0.03 -0.05 0.01 0.00 0.01 0.01 -0.00 0.01 0.02 0.01 0.00 0.02 0.05 -0.06 0.07 -0.01 0.18 -0.06 -0.05 -0.11 0.02 -0.28 0.42 -0.33 -0.15 0.04 -0.15 -0.02 -0.10 -0.10 0.05 0.13 0.22 -0.06 0.07 -0.29 -0.12 0.02 -0.43 -0.06 -0.01 0.07 -0.19 0.14 0.06 -0.14 0.14 0.05 0.13 -0.02 -0.10 0.00 -0.01 -0.01 -0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.01 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.02 0.01 -0.01 0.02 0.02 -0.00 -0.00 -0.03 0.00 0.01 -0.01 -0.01 -0.01 -0.01 0.01 -0.04 0.05 0.08 -0.02 -0.01 0.06 0.14 -0.21 0.06 0.08 -0.12 -0.03 -0.06 0.18 -0.17 -0.09 -0.04 -0.12 0.07 -0.03 -0.23 0.08 0.06 0.10 -0.00 -0.10 -0.47 0.18 -0.00 -0.05 0.43 -0.31 -0.34 -0.14 -0.06 0.04 -0.02 -0.12 -0.11 0.00 0.04 0.04 0.13 0.02 -0.02 -0.04 0.01 -0.01 0.04 -0.03 0.05 -0.03 0.02 -0.04 -0.03 -0.15 0.01 -0.23 -0.21 0.07 -0.27 -0.29 0.04 0.01 0.21 -0.00 -0.05 0.03 0.07 0.07 0.26 0.02 -0.12 -0.07 0.01 -0.07 -0.01 -0.02 0.02 0.16 -0.09 0.14 -0.19 0.12 0.00 0.20 -0.08 -0.04 -0.02 0.07 0.11 0.07 0.12 0.10 0.11 0.23 0.00 -0.03 -0.22 0.06 -0.09 -0.06 -0.09 0.09 0.08 0.28 -0.04 -0.14 0.27 -0.04 -0.11 0.06 -0.00 -0.09 0.04 0.23 -0.04 -0.02 -0.09 0.00 -0.15 0.09 -0.03 0.05 -0.05 0.08 -0.14 -0.27 0.04 -0.11 -0.31 0.01 -0.06 -0.18 0.00 -0.16 -0.39 0.02 -0.03 -0.12 -0.09 0.04 -0.09 -0.01 0.06 -0.04 -0.00 -0.07 0.01 -0.04 -0.00 0.25 -0.12 0.14 -0.17 0.12 0.02 0.24 -0.07 0.01 0.00 -0.01 -0.02 -0.01 -0.01 -0.02 -0.03 -0.04 0.00 0.00 0.07 -0.03 0.08 0.05 0.13 -0.12 -0.10 -0.26 0.01 0.12 -0.24 0.01 0.08 -0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.01 0.01 0.00 -0.01 -0.01 0.00 -0.00 -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 -0.01 -0.02 -0.00 0.00 -0.04 0.00 0.00 0.08 -0.07 0.02 0.00 0.07 0.08 -0.06 0.14 -0.18 0.09 -0.03 0.29 -0.16 0.06 0.06 -0.11 -0.22 -0.19 -0.31 -0.18 -0.23 -0.33 0.02 0.04 0.47 0.01 -0.07 -0.00 -0.17 0.14 0.09 0.10 0.07 -0.06 0.28 -0.04 -0.14 -0.01 -0.00 0.02 -0.01 -0.05 0.01 0.01 0.02 -0.01 0.04 -0.02 -0.01 -0.01 0.01 -0.02 0.03 0.05 -0.01 0.00 0.04 0.00 -0.00 0.03 -0.00 0.03 0.09 -0.01 0.02 0.03 0.03 -0.02 0.07 -0.00 0.05 -0.06 -0.00 -0.10 -0.00 -0.06 -0.03 0.42 -0.19 0.22 -0.28 0.23 0.05 0.27 -0.04 0.03 -0.03 0.01 0.00 0.05 0.15 -0.04 -0.00 -0.13 -0.03 0.03 -0.00 0.00 0.10 0.06 0.26 -0.22 -0.21 -0.38 0.02 0.17 -0.30 -0.01 0.07 0.09 -0.07 0.38 -0.00 0.01 -0.00 0.00 -0.05 -0.18 -0.09 0.08 -0.08 -0.00 -0.01 -0.05 -0.01 -0.00 0.05 -0.09 -0.26 -0.03 0.11 0.26 -0.10 -0.02 -0.05 -0.12 0.22 0.41 0.61 0.01 -0.01 -0.02 -0.00 -0.00 0.00 0.00 0.01 0.01 0.02 -0.05 0.02 -0.01 0.02 -0.02 -0.02 0.01 -0.03 0.00 0.01 -0.01 -0.02 -0.03 -0.05 -0.01 -0.02 -0.00 0.01 -0.00 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 -0.13 -0.08 -0.02 0.00 0.02 -0.01 0.02 0.01 0.02 0.03 -0.02 0.01 0.00 0.01 0.00 -0.00 -0.01 0.01 -0.03 -0.05 0.00 -0.01 0.01 -0.01 -0.00 0.00 -0.02 0.71 0.56 -0.22 0.00 0.00 0.01 0.01 -0.03 0.01 0.00 0.02 0.00 0.01 -0.03 0.01 -0.03 0.05 -0.05 -0.02 0.02 -0.03 -0.02 0.03 -0.01 -0.00 -0.06 -0.16 0.04 -0.02 0.13 0.05 -0.04 0.03 -0.01 0.02 -0.02 0.02 -0.02 0.04 0.07 -0.07 -0.02 -0.10 0.05 0.09 -0.04 -0.03 -0.01 0.00 0.00 -0.01 0.01 -0.00 0.01 -0.01 0.02 0.01 0.01 -0.00 0.01 -0.01 -0.00 0.00 0.01 -0.02 -0.01 0.03 0.04 -0.01 -0.01 -0.04 -0.01 0.26 0.20 -0.08 0.00 -0.02 0.01 -0.02 0.07 -0.07 -0.03 -0.04 0.05 0.11 -0.10 0.02 0.14 -0.21 0.07 -0.02 0.12 -0.08 0.05 -0.07 0.03 0.04 0.16 0.39 -0.05 0.07 -0.21 -0.10 0.08 -0.07 0.03 -0.07 0.09 -0.14 0.13 -0.10 -0.29 0.26 0.08 0.36 -0.16 -0.33 -0.02 -0.02 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.02 0.02 0.00 0.01 -0.00 0.01 -0.01 0.00 0.01 0.01 -0.02 -0.01 0.04 0.05 -0.01 -0.02 -0.06 -0.01 0.13 0.10 -0.03 0.00 -0.02 -0.01 -0.02 0.07 0.08 0.02 -0.07 -0.11 -0.23 0.46 -0.15 0.01 -0.01 0.24 0.19 -0.26 0.34 0.02 -0.08 -0.03 0.01 0.11 0.26 -0.08 0.04 -0.30 -0.11 0.05 -0.22 0.00 -0.02 -0.06 0.01 -0.01 0.08 0.27 -0.11 -0.10 0.01 0.06 0.08 0.01 0.00 0.00 -0.02 -0.02 -0.01 0.01 -0.00 -0.00 -0.02 0.03 0.01 0.00 -0.00 0.00 -0.01 0.03 -0.00 0.07 0.06 -0.02 0.06 0.06 -0.00 -0.02 -0.09 0.01 -0.04 -0.04 0.02 -0.01 -0.01 -0.00 0.11 0.03 -0.00 -0.09 -0.02 0.01 0.10 0.12 -0.08 0.20 -0.28 0.14 -0.00 0.29 -0.12 -0.11 -0.02 0.02 0.16 0.01 -0.13 0.16 0.14 0.36 0.05 -0.12 -0.40 -0.08 -0.05 -0.02 -0.29 0.21 0.25 0.23 0.00 -0.10 0.10 0.08 0.07 -0.04 0.04 -0.07 -0.00 -0.08 -0.07 0.03 0.00 -0.01 -0.09 0.16 0.10 0.02 -0.01 0.04 0.07 0.01 0.11 -0.31 -0.59 0.01 0.05 0.45 -0.21 0.08 0.31 -0.29 -0.05 -0.09 -0.15 0.03 0.02 0.00 -0.01 -0.02 0.00 0.00 0.01 0.00 -0.00 -0.02 0.01 -0.01 0.02 -0.03 -0.01 0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.02 -0.04 -0.00 -0.02 0.01 0.01 -0.00 0.05 0.00 0.01 -0.00 0.02 -0.02 -0.01 -0.01 -0.01 0.01 -0.03 0.00 0.01 0.01 0.02 -0.01 0.01 0.03 -0.02 -0.00 0.01 0.02 0.10 -0.16 -0.03 -0.03 0.02 -0.02 -0.07 0.02 0.13 -0.01 -0.41 -0.09 0.34 0.61 -0.16 -0.14 -0.41 -0.17 -0.08 -0.12 -0.03 -0.01 0.01 0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.02 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.01 0.02 -0.01 0.01 -0.05 0.07 0.01 0.01 0.00 -0.00 0.07 -0.10 -0.03 -0.01 0.01 -0.01 0.14 -0.06 0.03 -0.40 -0.37 0.13 -0.34 -0.16 -0.06 0.21 0.64 -0.14 -0.05 -0.03 0.05 -0.08 -0.07 0.01 0.03 0.03 0.00 -0.01 -0.01 -0.00 0.01 0.02 -0.01 0.02 -0.04 0.03 0.02 0.02 0.01 -0.01 -0.01 -0.00 0.02 0.01 0.02 0.01 0.02 -0.00 -0.01 -0.00 -0.06 -0.01 -0.01 -0.00 -0.04 0.03 0.02 0.02 0.01 -0.01 0.03 0.01 -0.00 -0.01 -0.01 -0.10 0.03 -0.01 -0.01 0.05 -0.05 0.04 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.01 0.01 0.00 0.00 -0.00 -0.02 -0.01 -0.42 0.65 0.61 -0.06 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.02 0.00 0.02 -0.01 0.00 -0.01 -0.02 0.01 0.00 0.00 0.01 -0.00 -0.01 -0.02 -0.01 -0.01 -0.02 0.01 -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 -0.01 -0.01 -0.05 -0.19 0.03 0.01 0.04 -0.03 0.02 0.03 -0.03 -0.02 -0.00 0.00 0.00 -0.01 -0.04 0.01 0.07 0.19 0.07 0.06 0.18 -0.12 0.02 0.26 -0.03 -0.23 0.29 0.30 0.46 0.03 -0.02 -0.02 -0.02 0.00 0.01 -0.06 0.02 -0.04 0.21 -0.04 -0.16 0.12 -0.08 0.03 0.18 -0.13 -0.02 -0.03 -0.06 0.03 0.15 0.22 0.16 0.07 0.21 -0.06 -0.01 0.20 -0.00 -0.02 -0.01 -0.06 0.05 0.05 -0.02 0.02 -0.01 0.00 0.00 0.03 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.02 -0.00 -0.00 0.01 -0.00 0.01 -0.03 0.07 -0.04 0.07 -0.31 0.03 0.22 -0.17 0.16 0.01 -0.22 0.24 -0.03 -0.03 -0.12 0.03 0.28 0.36 0.27 0.05 0.38 -0.04 -0.04 0.46 0.01 -0.01 -0.01 -0.03 0.04 0.04 -0.06 0.01 0.00 -0.04 0.01 0.05 0.00 -0.00 -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 -0.01 0.00 0.01 0.03 0.01 0.01 0.03 -0.02 0.00 0.04 -0.00 -0.01 0.00 0.01 0.05 0.00 -0.00 0.01 -0.01 -0.00 -0.03 0.07 -0.04 0.08 -0.31 0.03 0.22 -0.17 0.15 0.00 -0.21 0.23 0.00 0.01 0.04 -0.00 -0.08 -0.12 -0.09 -0.02 -0.11 0.02 0.00 -0.15 -0.10 0.05 0.06 0.23 -0.32 -0.22 0.43 -0.14 -0.04 0.32 -0.02 -0.32 0.00 -0.00 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 0.01 -0.00 -0.01 -0.03 -0.01 -0.01 -0.03 0.02 -0.00 -0.04 0.00 0.01 -0.00 -0.00 -0.05 -0.01 0.00 0.01 0.01 -0.00 0.03 -0.07 0.04 -0.07 0.34 -0.04 -0.23 0.18 -0.17 -0.01 0.24 -0.25 -0.02 -0.02 -0.07 0.03 0.17 0.21 0.16 0.04 0.23 -0.03 -0.02 0.28 -0.07 0.03 0.04 0.19 -0.25 -0.18 0.34 -0.10 -0.03 0.25 -0.01 -0.25 0.00 -0.00 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 -0.05 -0.13 0.01 0.27 0.49 0.14 0.26 0.43 -0.27 0.04 0.56 -0.05 0.02 -0.01 -0.02 -0.05 -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 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 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 -0.00 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 -0.05 0.02 0.03 0.54 -0.30 -0.37 0.22 -0.30 0.33 -0.02 0.34 -0.34 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.01 0.00 0.00 0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.03 0.00 -0.06 -0.26 -0.24 -0.04 0.60 -0.03 0.18 0.05 0.23 0.65 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.03 -0.01 0.00 0.01 -0.00 0.02 -0.02 0.02 -0.01 -0.00 -0.00 -0.00 0.01 -0.02 0.02 -0.01 0.01 -0.00 0.02 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 -0.00 0.00 -0.00 -0.00 -0.02 -0.01 0.04 -0.01 0.02 0.00 0.02 0.03 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.01 -0.02 -0.22 -0.15 0.10 -0.06 0.10 0.31 0.04 0.15 -0.09 -0.04 0.02 0.00 0.33 0.21 0.06 -0.18 -0.17 -0.14 0.36 -0.36 0.06 0.01 -0.02 0.03 -0.12 0.13 -0.34 0.20 0.16 -0.07 -0.21 -0.09 0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 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 0.03 0.01 -0.01 -0.32 -0.06 0.12 0.05 -0.01 0.21 -0.11 -0.01 -0.21 -0.03 -0.01 0.01 0.34 0.08 -0.11 -0.05 0.19 -0.18 0.09 -0.12 0.16 -0.01 0.02 -0.04 0.17 -0.18 0.46 -0.29 -0.19 0.09 0.31 0.13 -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 0.01 0.01 -0.03 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 0.01 0.01 0.00 -0.15 0.02 0.05 0.07 -0.05 0.02 -0.11 -0.08 -0.12 0.01 0.02 -0.01 -0.19 0.00 0.11 -0.02 -0.23 0.10 0.05 -0.01 -0.12 -0.03 -0.04 -0.01 0.18 -0.27 -0.09 -0.05 0.54 -0.15 0.28 0.33 0.44 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.03 -0.00 -0.03 -0.38 -0.19 0.16 -0.02 0.09 0.42 -0.02 0.14 -0.20 0.02 -0.03 0.00 -0.17 -0.20 -0.14 0.19 0.32 0.07 -0.36 0.33 0.02 0.00 -0.01 0.01 -0.06 0.06 -0.18 0.12 0.09 -0.04 -0.11 -0.04 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 -0.01 0.01 -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 0.01 0.01 0.02 0.03 -0.03 0.24 -0.02 0.21 -0.23 -0.33 -0.27 -0.34 -0.11 -0.02 -0.03 0.01 0.32 0.00 -0.19 0.03 0.38 -0.18 -0.07 0.01 0.22 0.00 -0.02 0.01 -0.05 0.04 -0.25 0.14 0.20 -0.08 -0.11 -0.00 0.11 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 -0.03 -0.02 -0.02 0.37 -0.14 -0.11 -0.23 0.20 0.04 0.34 0.28 0.32 -0.01 -0.02 0.01 0.25 -0.01 -0.17 0.03 0.33 -0.16 -0.07 0.03 0.18 -0.01 -0.02 -0.01 0.09 -0.13 -0.04 -0.03 0.25 -0.07 0.12 0.15 0.21 -0.38 0.51 0.15 0.01 0.02 0.04 0.31 -0.44 -0.13 0.04 -0.04 -0.02 -0.00 0.00 0.00 -0.01 -0.01 -0.02 0.07 0.10 -0.01 -0.04 -0.08 0.02 -0.00 0.01 -0.02 -0.10 0.00 -0.46 -0.02 -0.01 -0.01 0.00 0.01 0.00 -0.01 -0.00 0.00 0.05 0.04 -0.02 0.01 -0.02 -0.06 -0.01 -0.03 0.02 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.01 -0.01 -0.01 0.02 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.01 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 -0.01 0.03 -0.02 0.12 0.11 0.37 -0.33 -0.31 0.03 0.32 -0.16 -0.21 -0.01 -0.01 -0.03 0.13 -0.31 0.18 -0.31 0.11 0.16 0.30 0.31 0.01 -0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.03 -0.01 0.10 0.09 0.31 -0.27 -0.25 0.02 0.26 -0.13 -0.17 0.01 0.01 0.03 -0.13 0.30 -0.18 0.29 -0.11 -0.15 -0.28 -0.30 -0.01 -0.02 0.01 0.01 0.21 0.19 -0.00 -0.06 -0.06 -0.23 0.07 -0.21 0.12 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.05 0.05 0.16 -0.14 -0.13 0.01 0.14 -0.07 -0.09 0.00 0.00 0.01 -0.06 0.15 -0.09 0.15 -0.05 -0.08 -0.14 -0.14 -0.01 0.04 -0.01 -0.02 -0.41 -0.37 0.00 0.13 0.12 0.47 -0.15 0.41 -0.24 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.04 0.01 -0.22 0.21 -0.48 -0.15 0.31 0.45 0.59 -0.08 -0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.08 -0.03 -0.00 0.09 0.08 0.32 0.53 0.53 -0.06 0.37 -0.20 -0.24 0.01 0.02 -0.01 0.05 -0.11 0.07 -0.06 0.03 0.03 -0.12 -0.13 -0.01 0.01 0.01 0.01 -0.08 -0.07 0.00 -0.02 -0.02 -0.10 0.01 -0.02 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 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 0.02 0.08 0.09 0.09 -0.01 0.03 -0.02 -0.02 -0.03 -0.07 0.03 -0.22 0.48 -0.30 0.10 -0.05 -0.05 0.44 0.46 0.04 0.02 0.04 0.00 -0.26 -0.22 0.01 -0.03 -0.03 -0.16 0.07 -0.18 0.10 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.00 0.01 0.00 0.00 0.01 0.12 0.12 -0.01 0.13 -0.07 -0.08 -0.01 -0.03 0.01 -0.10 0.21 -0.13 0.04 -0.02 -0.02 0.20 0.20 0.02 -0.04 -0.07 -0.02 0.53 0.45 -0.02 0.09 0.09 0.41 -0.12 0.28 -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 0.02 -0.04 -0.07 0.21 0.16 0.62 0.06 0.05 -0.02 -0.46 0.23 0.28 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.03 -0.01 -0.02 0.02 0.02 0.00 0.01 -0.02 0.03 0.06 0.05 0.00 -0.06 -0.06 -0.23 -0.11 0.29 -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 -0.02 -0.03 0.10 0.08 0.31 0.05 0.04 -0.01 -0.20 0.10 0.12 0.00 0.01 -0.00 0.02 -0.04 0.03 0.00 0.00 -0.00 -0.03 -0.03 -0.00 -0.03 0.03 -0.07 -0.00 0.01 -0.01 0.14 0.16 0.60 0.20 -0.53 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 -0.01 -0.00 -0.02 0.02 0.02 -0.00 0.04 -0.02 -0.03 -0.08 0.04 0.01 0.15 -0.38 0.24 0.68 -0.26 -0.39 0.18 0.21 0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.05 0.04 -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 0.52 -0.46 0.72 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.09 0.04 -0.02 0.21 -0.21 0.48 0.06 -0.14 -0.21 0.77 -0.10 -0.05 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -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 -0.09 0.23 -0.23 0.50 -0.20 0.44 0.61 -0.17 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 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 6 16 7 7 16 6 1 1 1 1 7 14 6 1 1 1 6 1 1 1 6 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 6 16 7 7 16 6 1 1 1 1 7 14 6 1 1 1 6 1 1 1 6 1 1 1 12.00000 31.97207 14.00307 14.00307 31.97207 12.00000 1.00783 1.00783 1.00783 1.00783 14.00307 27.97693 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 207.03202 1486.57480 3367.86621 3730.94732 0.9996 0.02803 0.004 -0.02781 0.99851 -0.047 -0.00531 0.04687 0.99889 asymmetric 1 0.05826 0.02572 0.02321 1.21403 0.53587 0.48372 478195.9 49.27 64.81 96.79 153.71 221.91 240.36 247.88 250.32 275.21 281.30 307.00 311.08 340.89 378.79 411.91 535.51 555.35 687.24 712.23 772.22 866.34 908.10 975.03 980.40 990.92 1000.73 1033.02 1065.22 1106.57 1115.25 1170.61 1235.73 1237.62 1244.86 1254.36 1335.09 1358.69 1446.24 1771.98 1801.48 1821.32 1825.45 1834.33 1882.65 2044.43 2047.12 2048.47 2060.86 2061.12 2065.43 2075.20 2089.58 2245.29 4352.44 4353.58 4356.61 4405.26 4479.50 4481.77 4485.48 4491.95 4492.67 4497.41 4551.89 4590.42 4595.27 0.182135 0.197356 0.198300 0.139727 -1447.705538 -1447.690317 -1447.689373 -1447.747946 123.843 54.973 123.277 0.000 0.000 0.000 0.889 2.981 41.887 0.889 2.981 31.302 122.065 49.012 50.087 1 0.594 1.983 5.567 2 0.595 1.979 5.024 3 0.598 1.970 4.232 4 0.606 1.944 3.326 5 0.620 1.898 2.619 6 0.624 1.883 2.468 7 0.626 1.877 2.410 8 0.627 1.874 2.392 9 0.634 1.852 2.215 10 0.636 1.846 2.175 11 0.644 1.821 2.015 12 0.645 1.816 1.991 13 0.656 1.784 1.826 14 0.670 1.740 1.640 15 0.684 1.699 1.496 16 0.744 1.529 1.071 17 0.755 1.500 1.016 18 0.834 1.300 0.716 19 0.851 1.261 0.671 20 0.892 1.169 0.572 21 0.960 1.027 0.446 0.537038e-64 -64.269995 -147.987132 0.320860e+20 19.506316 44.914951 0.296462e-78 -78.528031 -180.817474 1 0.604487e+01 0.781387 1.799210 2 0.459127e+01 0.661933 1.524157 3 0.306685e+01 0.486693 1.120651 4 0.191841e+01 0.282942 0.651498 5 0.131306e+01 0.118284 0.272360 6 0.120746e+01 0.081874 0.188521 7 0.116884e+01 0.067756 0.156015 8 0.115678e+01 0.063252 0.145644 9 0.104581e+01 0.019453 0.044792 10 0.102157e+01 0.009267 0.021339 11 0.929555e+00 -0.031725 -0.073049 12 0.916292e+00 -0.037966 -0.087420 13 0.828736e+00 -0.081584 -0.187854 14 0.736566e+00 -0.132788 -0.305757 15 0.669313e+00 -0.174371 -0.401503 16 0.488411e+00 -0.311215 -0.716599 17 0.466449e+00 -0.331195 -0.762606 18 0.350846e+00 -0.454884 -1.047408 19 0.333473e+00 -0.476939 -1.098192 20 0.296104e+00 -0.528556 -1.217044 21 0.247438e+00 -0.606533 -1.396595 0.177125e+06 5.248279 12.084610 1 0.656551e+01 0.817269 1.881831 2 0.511842e+01 0.709136 1.632845 3 0.360734e+01 0.557187 1.282971 4 0.248250e+01 0.394889 0.909266 5 0.190504e+01 0.279903 0.644501 6 0.180689e+01 0.256932 0.591608 7 0.177130e+01 0.248291 0.571712 8 0.176022e+01 0.245566 0.565438 9 0.165919e+01 0.219896 0.506329 10 0.163737e+01 0.214146 0.493089 11 0.155550e+01 0.191869 0.441795 12 0.154383e+01 0.188601 0.434269 13 0.146789e+01 0.166692 0.383823 14 0.139024e+01 0.143090 0.329477 15 0.133545e+01 0.125628 0.289270 16 0.119896e+01 0.078805 0.181454 17 0.118379e+01 0.073276 0.168725 18 0.111081e+01 0.045641 0.105092 19 0.110100e+01 0.041788 0.096222 20 0.108110e+01 0.033866 0.077979 21 0.105788e+01 0.024435 0.056263 0.100000e+01 0.000000 0.000000 0.117087e+09 8.068510 18.578431 0.154713e+07 6.189526 14.251910 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.9884 0.3733 0.8658 2.2006 -82.7166 -83.8464 -93.0521 2.2192 2.8418 -4.1803 3.8217 2.6920 -6.5137 2.2192 2.8418 -4.1803 26.2399 17.9451 2.4568 17.4445 -7.6781 8.1476 4.9062 -0.9545 -2.6334 -6.4697 -2200.4218 -793.5011 -573.4607 -7.7700 39.2992 17.3274 -2.4736 -1.3642 -13.7412 -479.7810 -464.7524 -221.8288 -26.8985 4.6115 -18.6337 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1447.8876732 3.662E-9 1.51E-5 0.1821352 0.1973557 -2.6436153,-0.7968902,3.4405056,4.5757059,-1.0359772,1.6942807 C01 [X(C5H13N3S2Si1)] 0.5716884 0.5405819 0.3613261 0.3166669 -0.4631816 0.1811756 -0.2859261 0.6692348 -0.3311646 0.1300715 -0.3732626 0.1584399 0.885834 0.6833642 0.1029686 0.6622934 2.3620906 0.3452775 -0.0845892 -0.1984833 1.8270252 -0.5687075 -0.2538932 0.0845067 0.0102569 -1.0919885 0.2249333 -0.1010304 0.3634666 -0.6165971 -0.5414323 0.1989584 -0.1643833 -0.2313273 -0.9137883 0.0993748 0.124616 0.1503659 -0.6374973 0.0389992 0.2617868 -0.1371006 0.2723374 0.0124804 0.0108519 -0.1508933 -0.0068654 0.0896065 -0.0244397 -0.1096706 -0.0150027 -0.0462369 -0.1776739 0.0358152 0.0270365 0.0426302 -0.3588749 0.0227271 -0.0170145 0.0019319 -0.0220176 0.0883621 -0.0064133 -0.0127611 0.0294335 0.0336682 0.0550096 0.0357281 -0.017392 0.0369599 0.052021 -0.0121153 0.0176749 0.00084 0.0022906 0.0725645 -0.0253224 -0.0134282 -0.0258361 -0.0178748 -0.0263138 -0.0064584 -0.0346917 -0.0007999 0.0287441 -0.0461421 0.031891 -0.0261235 0.0788714 0.0298388 0.0577783 0.0595521 0.1148152 -0.7029818 -0.4057815 -0.1784984 -0.4821749 -1.7907181 -0.621016 -0.2531253 -0.6641655 -1.3791415 1.519025 0.2091381 0.0896088 0.1742234 1.9501709 0.1873186 0.3181112 0.8896855 1.6551168 -0.381681 -0.0595252 0.0958516 -0.0634333 -0.4171894 0.0715337 0.0439701 -0.0788957 -0.413803 -0.1026918 -0.0043525 -0.0294709 -0.032221 0.0742015 0.0094146 0.0032484 0.0284611 0.0751708 0.090341 0.0212566 0.005065 0.0046293 0.0717093 -0.0621963 -0.0287831 -0.115267 -0.116201 0.0473326 -0.0152039 0.0073715 0.0212595 -0.0913317 0.0286116 -0.0040006 0.0666536 0.0879489 -0.5292657 0.0079273 -0.0593256 0.0567659 -0.3997421 0.0173407 -0.0743604 -0.1234958 -0.2668687 -0.0305157 -0.0501618 0.090249 -0.0438204 0.0514873 0.0306547 0.0706441 0.049196 0.0050377 0.0780653 0.0989444 0.0150403 0.0365828 -0.053317 0.0070529 0.0176131 0.0316509 0.0748693 0.0260162 -0.0843663 -0.0863831 -0.0296249 0.0580173 -0.0514792 -0.0651091 -0.0738355 -0.0842869 -0.3089511 0.0276087 -0.0032358 0.0287701 -0.566225 0.0197573 -0.029683 -0.0378538 -0.2514081 0.0636574 -0.014325 -0.0236609 -0.0379904 -0.0271961 -0.1037239 -0.0288197 -0.0821145 -0.0539274 -0.0848204 0.0425595 -0.0324383 0.083009 0.0610455 0.0172492 -0.0332566 0.0142546 0.0627866 0.0305039 -0.0383316 0.0546599 -0.0603551 0.0173526 0.0793977 0.0621061 0.0627406 -0.0073699 117.3354404|13.6770227|144.9191753|1.5630304|-2.179567|117.9329993 0.000000523 0.000032990 -0.000019959 0.000076449 -0.000011888 0.000012787 -0.000066997 -0.000025917 0.000021669 -0.000006878 0.000008877 -0.000002544 0.000001842 -0.000013799 0.000007366 0.000001809 -0.000007190 -0.000011845 -0.000001836 0.000003148 0.000000915 -0.000002613 -0.000000730 0.000001001 -0.000001079 0.000000641 0.000002359 0.000001192 -0.000004176 0.000004233 0.000001244 0.000022964 -0.000023728 0.000003250 -0.000014853 0.000017562 0.000001761 -0.000008753 -0.000013667 -0.000000110 0.000003943 -0.000005826 0.000006180 0.000005527 0.000000144 -0.000011611 0.000000943 0.000010668 -0.000006515 0.000004301 0.000002216 -0.000004346 0.000002688 -0.000005546 0.000004356 0.000000149 0.000001639 0.000004175 -0.000001312 -0.000002287 -0.000004931 -0.000002233 0.000004539 0.000001398 -0.000000177 0.000000281 0.000001926 0.000003820 -0.000000231 0.000000813 0.000001037 -0.000001746 194.28909999999996 AuxInfo=1/0/N:1;6;13;17;21;3;4;11;2;5;12;7;8;9;10;14;15;16;18;19;20;22;23;24/rA:24nC0S0N0N0S0C0H0H0H0H0N0Si0C0H0H0H0C0H0H0H0C0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;/rC:-.6248,.6555,-.8312;-2.3194,-.8621,.1996;-.6483,-.4317,-.1454;-3.1376,.3092,-.5235;-2.1143,1.4829,-1.2072;-2.32,-.6703,1.9897;-3.342,-.8889,2.3243;-1.6061,-1.3945,2.4016;-2.0325,.3631,2.2206;.3174,1.0885,-1.19;-2.7249,-2.3007,-.0403;-3.0792,-2.9518,-1.6475;-1.9743,-2.1478,-2.9465;-.9105,-2.2576,-2.6817;-2.1303,-2.6092,-3.9358;-2.1955,-1.0721,-3.0378;-4.8859,-2.6175,-2.037;-5.5418,-3.0841,-1.2842;-5.0693,-1.5314,-2.0216;-5.1683,-3.0088,-3.0284;-2.7356,-4.7938,-1.5368;-2.9696,-5.2989,-2.4885;-1.6759,-4.9812,-1.2999;-3.3459,-5.2565,-.7446;