%chk=000058200.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000058200 0 1 Si -2.307800 1.786700 -1.010700 O -1.520800 3.260200 -0.8522000 O -2.042100 0.8725000 0.3732000 O 2.680400 0.6876000 -0.3173000 O 0.9742000 -2.222000 0.1038000 O 4.011000 -0.7518000 0.8981000 N 0.5658000 1.901400 1.153500 C 0.3821000 3.294200 0.7151000 C -0.4474000 1.440600 2.117500 C 1.905700 1.696500 1.708300 C -0.1028000 3.336500 -0.7413000 C -1.896900 1.531200 1.629500 C 2.953700 1.732000 0.6075000 C -4.155100 2.085800 -1.223300 C -1.709300 0.8549000 -2.527800 C 2.918300 -1.523100 -1.135200 C 3.277300 -0.5166000 -5.3500000E-02 C 1.405900 -1.732900 -1.160600 C 3.428500 -1.029300 -2.486500 C -0.3607000 -2.500700 0.2341000 C -1.223600 -2.301600 -0.8439000 C -0.8574000 -2.983400 1.444900 C -2.582900 -2.584800 -0.7108000 C -2.216800 -3.266700 1.577800 C -3.079400 -3.067300 0.4998000 H -0.3133000 3.835200 1.368700 H 1.319400 3.860700 0.7672000 H -0.2533000 0.3803000 2.326900 H -0.3563000 1.981500 3.068000 H 1.958800 0.7102000 2.186700 H 2.134700 2.440300 2.481800 H 0.4068000 2.595500 -1.371300 H 0.1725000 4.314600 -1.154700 H -2.255100 2.568700 1.615800 H -2.537600 1.000000 2.343900 H 3.959700 1.637700 1.034400 H 2.955800 2.673200 4.9899999E-02 H -4.688900 1.135500 -1.315800 H -4.346900 2.679800 -2.121700 H -4.556800 2.625000 -0.3604000 H -0.6556000 0.5840000 -2.432500 H -2.294800 -5.5300001E-02 -2.680600 H -1.818300 1.478100 -3.420600 H 3.415900 -2.464600 -0.8723000 H 1.187300 -2.469900 -1.944200 H 0.9077000 -0.7830000 -1.386200 H 2.920900 -0.1123000 -2.805600 H 4.501600 -0.8139000 -2.441200 H 3.267700 -1.788000 -3.259500 H -0.9056000 -1.943000 -1.815700 H -0.1902000 -3.139200 2.288200 H -3.255200 -2.432100 -1.550100 H -2.603800 -3.641700 2.520700 H -4.137800 -3.287800 0.6033000 %chk=000058200-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000058200 0 1 Si -1.638112 2.265673 -1.515623 O -1.540782 3.691395 -0.520838 O -1.644019 0.823587 -0.523484 O 2.282002 0.755165 -0.753184 O 0.754115 -2.333804 0.238992 O 3.861708 -0.634415 0.256304 N 0.426199 2.072091 1.261770 C -0.092601 3.430812 1.496868 C -0.433030 0.936451 1.655283 C 1.876098 1.875255 1.433461 C -0.390356 4.219297 0.201872 C -1.793227 0.891598 0.931501 C 2.694058 1.882210 0.126866 C -3.337182 2.437691 -2.328478 C -0.213080 2.097536 -2.752826 C 2.299282 -1.550859 -1.444088 C 2.914613 -0.478889 -0.545397 C 0.807082 -1.755828 -1.120271 C 2.484568 -1.197170 -2.942570 C -0.481019 -2.832092 0.692816 C -1.724310 -2.562846 0.067599 C -0.419622 -3.637228 1.857508 C -2.902613 -3.123979 0.613432 C -1.604727 -4.182518 2.391024 C -2.853878 -3.935221 1.769172 H -1.030481 3.384059 2.086843 H 0.633689 4.025893 2.096847 H 0.111208 0.005833 1.420623 H -0.650641 0.925193 2.755393 H 2.071574 0.915768 1.949242 H 2.305910 2.672852 2.082356 H 0.510999 4.224375 -0.447565 H -0.647943 5.266456 0.453327 H -2.410491 1.770341 1.212521 H -2.323605 -0.024765 1.247504 H 3.774184 1.788515 0.346949 H 2.494883 2.782797 -0.475532 H -3.593671 1.526575 -2.897935 H -3.363039 3.300441 -3.017581 H -4.114201 2.591853 -1.559418 H 0.715131 1.793082 -2.241413 H -0.459135 1.327124 -3.507547 H -0.044240 3.048970 -3.289215 H 2.835447 -2.487525 -1.210546 H 0.363460 -2.473361 -1.840689 H 0.247366 -0.801433 -1.150738 H 1.929012 -0.280832 -3.205513 H 3.550485 -1.032250 -3.177436 H 2.120892 -2.025782 -3.576853 H -1.786652 -1.894800 -0.796502 H 0.556298 -3.825430 2.316001 H -3.863986 -2.914348 0.130604 H -1.552384 -4.807956 3.289428 H -3.772038 -4.366156 2.182237