%chk=000083661.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000083661 0 1 Si 1.482400 -0.2069000 0.4416000 N -0.2086000 0.1938000 0.4056000 C -0.8000000 0.9030000 -0.7404000 C -1.212300 -0.7450000 0.9333000 C 2.520100 1.328200 0.3371000 C 1.887100 -1.392900 -0.9275000 C -2.038100 1.676300 -0.3358000 C -1.630600 -1.756400 -0.1138000 H 1.765800 -0.8627000 1.743800 H -8.5100003E-02 1.655300 -1.101500 H -0.9910000 0.2579000 -1.605700 H -0.8010000 -1.284600 1.797800 H -2.086900 -0.2286000 1.344000 H 3.582800 1.086900 0.4380000 H 2.384500 1.837500 -0.6219000 H 2.261000 2.033600 1.132500 H 1.464100 -2.383800 -0.7409000 H 1.510600 -1.035800 -1.890800 H 2.970900 -1.516400 -1.020200 H -2.912600 1.034300 -0.1947000 H -1.874100 2.258500 0.5777000 H -2.300200 2.387000 -1.127800 H -2.266500 -1.325300 -0.8928000 H -0.7896000 -2.263700 -0.5904000 H -2.231800 -2.537200 0.3674000 %chk=000083661-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000083661 0 1 Si 1.387871 -0.279244 0.325280 N -0.378316 -0.114299 0.115756 C -0.950415 0.777128 -0.916794 C -1.350141 -0.929377 0.874021 C 2.220277 1.431062 0.530491 C 2.241429 -1.201293 -1.122994 C -1.568209 2.079811 -0.349157 C -1.859938 -2.183045 0.117591 H 1.544697 -1.095781 1.590168 H -0.157836 1.046140 -1.644206 H -1.722858 0.233744 -1.502985 H -0.879342 -1.249206 1.823647 H -2.220272 -0.299887 1.158453 H 3.314641 1.322121 0.648610 H 2.041671 2.073195 -0.352405 H 1.826262 1.954332 1.419606 H 1.807594 -2.208764 -1.254615 H 2.120403 -0.651310 -2.075202 H 3.325924 -1.313645 -0.934260 H -2.367242 1.854814 0.380378 H -0.797575 2.680565 0.165760 H -2.010751 2.691869 -1.158930 H -2.330945 -1.906366 -0.843697 H -1.023203 -2.871778 -0.099646 H -2.612827 -2.727786 0.719729