%chk=000088005.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000088005 0 1 Si 1.722500 0.3110000 -1.112700 Si 0.3514000 2.816000 0.2526000 Si 3.665400 -1.268000 0.8239000 O 1.127100 1.859200 -0.8815000 O 2.883400 -4.1999999E-03 5.2400000E-02 O -2.438500 -1.629900 -0.4541000 O -3.998000 -8.2900003E-02 -1.142200 C 0.3153000 -0.9336000 -0.9976000 C 2.481600 0.1437000 -2.826600 C -0.8354000 -0.7165000 -1.982400 C 7.8500003E-02 4.543600 -0.4410000 C -1.323600 2.098600 0.7196000 C 1.388600 2.962900 1.815000 C 4.899100 -0.5946000 2.074400 C 4.600900 -2.324700 -0.4201000 C 2.444400 -2.370200 1.736700 C -1.945400 -1.740400 -1.782100 C -3.474500 -0.7596000 -0.2686000 C -3.880300 -0.7502000 1.164600 C -3.171500 -1.620000 2.157100 C -4.891100 5.9599999E-02 1.512600 H 0.7311000 -1.936100 -1.153200 H -6.0699999E-02 -0.9063000 3.1300001E-02 H 1.752100 0.4010000 -3.599900 H 3.340600 0.8132000 -2.929700 H 2.821400 -0.8814000 -2.999900 H -0.4704000 -0.7890000 -3.013900 H -1.244600 0.2928000 -1.858300 H 1.034300 5.007600 -0.7016000 H -0.5408000 4.501500 -1.341800 H -0.4244000 5.179000 0.2939000 H -1.207500 1.102300 1.154500 H -1.822600 2.736200 1.455300 H -1.968100 2.023300 -0.1604000 H 1.533300 1.981300 2.275700 H 2.371900 3.383200 1.584800 H 0.8971000 3.614700 2.543200 H 4.388100 1.1800000E-02 2.828000 H 5.417900 -1.412300 2.583200 H 5.645800 3.1500001E-02 1.577400 H 3.911200 -2.771900 -1.141900 H 5.328000 -1.718600 -0.9685000 H 5.137700 -3.131500 8.7399997E-02 H 1.760900 -2.858100 1.036400 H 2.973500 -3.148200 2.294800 H 1.851800 -1.782300 2.443800 H -2.740200 -1.613800 -2.526200 H -1.553400 -2.755700 -1.906300 H -3.269800 -2.675400 1.882600 H -2.107100 -1.365800 2.199300 H -3.577800 -1.503100 3.167500 H -5.233200 0.1118000 2.541500 H -5.407300 0.6921000 0.7981000 %chk=000088005-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000088005 0 1 Si 1.795971 0.775960 -1.020631 Si -0.190443 2.197782 1.346413 Si 3.601986 -1.041983 1.105748 O 0.769065 1.530466 0.095518 O 2.986027 -0.136583 -0.217976 O -2.099922 -1.536562 -2.003132 O -3.439025 0.236701 -1.285928 C 0.708025 -0.414484 -2.043726 C 2.680987 2.105665 -2.040544 C -0.519440 0.279762 -2.685062 C -1.724333 2.996221 0.549831 C -0.697759 0.784913 2.526378 C 0.868157 3.492332 2.265550 C 2.347314 -2.410107 1.558212 C 3.867735 0.137299 2.582607 C 5.250611 -1.793516 0.523489 C -1.614192 -0.697870 -3.143044 C -3.005495 -0.933697 -1.125483 C -3.367825 -1.865053 -0.003048 C -2.709196 -3.227386 0.058996 C -4.276148 -1.417314 0.907806 H 1.326188 -0.917763 -2.813336 H 0.363913 -1.206226 -1.348882 H 1.960191 2.733831 -2.594110 H 3.266063 2.762470 -1.372713 H 3.377440 1.646890 -2.764909 H -0.207413 0.865885 -3.573401 H -0.970732 0.997635 -1.975963 H -1.427675 3.784241 -0.166370 H -2.328366 2.246221 0.006732 H -2.370162 3.462409 1.317835 H 0.191970 0.274072 2.939270 H -1.292455 1.170807 3.375724 H -1.313337 0.035751 1.995044 H 1.781028 3.026604 2.680286 H 1.180416 4.298722 1.577304 H 0.307724 3.952694 3.100621 H 2.169268 -3.075075 0.693309 H 2.718739 -3.030801 2.395218 H 1.377729 -1.973678 1.862341 H 4.565813 0.949434 2.310021 H 2.912394 0.598190 2.894227 H 4.288773 -0.398748 3.453825 H 5.949965 -0.995703 0.215357 H 5.732333 -2.384454 1.324506 H 5.089254 -2.457541 -0.344714 H -2.477761 -0.154473 -3.567579 H -1.232839 -1.443507 -3.860042 H -2.909530 -3.806358 -0.859950 H -1.610430 -3.133010 0.134324 H -3.075425 -3.799805 0.927982 H -4.588345 -2.037865 1.754701 H -4.718133 -0.419798 0.808471