%chk=000108743.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108743 0 1 Si 3.679900 -0.1239000 1.4200000E-02 O 4.773600 -0.3979000 -1.228500 O 3.654200 -1.455100 1.034000 O 4.181900 1.219200 0.8851000 O -1.473300 0.8677000 0.6182000 N -6.651800 -0.7795000 -0.5630000 C 1.975700 0.1830000 -0.7145000 C 0.8647000 0.4502000 0.3033000 C -0.4851000 0.6391000 -0.3770000 C -2.749700 0.4616000 0.3271000 C 6.135000 -0.6550000 -0.9144000 C 3.279700 -2.724900 0.5198000 C 4.312300 2.471000 0.2268000 C -3.184800 0.4539000 -0.9930000 C -3.595500 6.2100001E-02 1.355300 C -4.483900 4.0899999E-02 -1.289200 C -4.894500 -0.3509000 1.059100 C -5.338600 -0.3615000 -0.2631000 H 2.042900 1.031400 -1.405900 H 1.706500 -0.6893000 -1.322000 H 0.7906000 -0.3769000 1.021700 H 1.094900 1.340400 0.9032000 H -0.6969000 -0.2688000 -0.9569000 H -0.4475000 1.502400 -1.051400 H 6.677200 -0.8045000 -1.853100 H 6.589900 0.1943000 -0.3930000 H 6.239100 -1.566300 -0.3154000 H 2.236500 -2.723400 0.1859000 H 3.938900 -3.035900 -0.2981000 H 3.373800 -3.458500 1.326400 H 4.696900 3.196000 0.9507000 H 5.023600 2.414900 -0.6046000 H 3.341600 2.833100 -0.1287000 H -2.561200 0.7862000 -1.817200 H -3.253100 6.8899997E-02 2.386200 H -4.820600 4.2800002E-02 -2.322800 H -5.551000 -0.6623000 1.867600 H -7.272000 -1.072200 0.1802000 H -6.973800 -0.7882000 -1.521600 %chk=000108743-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000108743 0 1 Si 3.783872 -0.166208 -0.040177 O 4.871741 -0.245949 -1.376030 O 4.015799 -1.475151 1.049601 O 4.119064 1.176800 0.977357 O -1.459802 0.094567 0.636670 N -7.002513 0.130360 -0.546341 C 2.054000 -0.130115 -0.809036 C 0.916899 -0.021608 0.238593 C -0.461275 -0.045344 -0.430013 C -2.821258 0.094384 0.255052 C 6.331436 -0.238964 -1.282736 C 3.989718 -2.888052 0.692294 C 3.883285 2.577678 0.651901 C -3.290466 -0.028330 -1.074357 C -3.754218 0.228908 1.311372 C -4.678842 -0.015865 -1.338613 C -5.134698 0.241163 1.047172 C -5.624950 0.118379 -0.286992 H 2.008666 0.715772 -1.523430 H 1.935381 -1.049984 -1.416268 H 0.977652 -0.851333 0.967509 H 1.011882 0.913050 0.823015 H -0.618249 -1.001957 -0.974539 H -0.561384 0.790448 -1.156626 H 6.717714 -0.082571 -2.303296 H 6.691845 0.574041 -0.622957 H 6.708775 -1.204647 -0.894033 H 2.999596 -3.195585 0.296830 H 4.765316 -3.137016 -0.059533 H 4.191658 -3.451357 1.617718 H 4.070021 3.151967 1.573823 H 4.571674 2.933405 -0.140348 H 2.838410 2.760357 0.325441 H -2.595371 -0.134504 -1.912834 H -3.377133 0.322572 2.334758 H -5.028309 -0.112001 -2.374152 H -5.842477 0.346352 1.878767 H -7.672444 0.225794 0.210034 H -7.354915 0.044645 -1.494199