%chk=000122595.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000122595 0 1 Si -0.4021000 -0.8690000 -0.3143000 O 4.5100000E-02 0.7475000 -0.3641000 O -1.861100 -1.019500 0.4970000 O 0.7566000 -1.741900 0.5255000 O 1.850300 2.878000 -0.1891000 N -2.876400 -0.3075000 -0.1517000 N 2.005900 -1.655300 -9.8800004E-02 C 0.2283000 1.458400 0.8524000 C -0.5679000 -1.537200 -2.064100 C 0.6264000 2.887100 0.5356000 C 2.261400 4.193800 -0.5330000 C -3.974700 -0.4559000 0.5113000 C 2.859200 -2.342200 0.5852000 C -5.239500 0.1968000 5.2700002E-02 C 4.288600 -2.433000 0.1556000 H -0.6989000 1.461800 1.438500 H 1.025600 0.9835000 1.438300 H 0.3804000 -1.451300 -2.602600 H -0.8588000 -2.591600 -2.045400 H -1.327500 -0.9804000 -2.620700 H 0.7486000 3.456200 1.463700 H -0.1478000 3.359000 -8.0700003E-02 H 3.204700 4.127200 -1.081900 H 2.423500 4.793200 0.3680000 H 1.516900 4.672900 -1.176100 H -4.028600 -1.061300 1.433300 H 2.576600 -2.884400 1.504900 H -5.600100 0.8619000 0.8414000 H -5.076100 0.7683000 -0.8642000 H -5.991900 -0.5758000 -0.1246000 H 4.541800 -3.483100 -1.0600000E-02 H 4.459700 -1.863900 -0.7614000 H 4.923500 -2.042200 0.9548000 %chk=000122595-Freq.chk %nprocshared=12 %mem=21GB #p freq=noraman PBEPBE/SDD 000122595 0 1 Si -0.647575 -0.513658 -0.452036 O -0.483952 1.188594 -0.519108 O -1.983133 -0.985884 0.602538 O 0.616879 -1.244280 0.527851 O 2.170016 2.283534 0.497605 N -3.270529 -0.648771 -0.052103 N 1.875008 -1.291223 -0.263777 C -0.243155 2.095131 0.603246 C -0.787342 -1.136109 -2.210552 C 0.923578 3.019579 0.275174 C 3.335760 2.999969 -0.008085 C -4.263278 -0.945743 0.744163 C 2.871044 -1.615062 0.515108 C -5.678087 -0.701643 0.288950 C 4.253904 -1.746316 -0.066313 H -1.161746 2.693834 0.755019 H -0.016857 1.539130 1.534684 H 0.100254 -0.832107 -2.788220 H -0.854760 -2.236892 -2.223151 H -1.693484 -0.721644 -2.682073 H 0.888965 3.921247 0.930389 H 0.840338 3.346573 -0.784016 H 4.206089 2.355669 0.195361 H 3.476086 3.977175 0.504534 H 3.260379 3.180134 -1.101954 H -4.077800 -1.374298 1.742588 H 2.713267 -1.786578 1.591904 H -6.195705 -0.010497 0.980934 H -5.694210 -0.268589 -0.724463 H -6.252987 -1.647151 0.282612 H 4.650919 -2.766348 0.096413 H 4.245144 -1.535413 -1.148109 H 4.948671 -1.042264 0.429785