%chk=000076988.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076988

0 1
 Si   1.508600      -1.637300      0.5887000    
 Si -0.8937000     -0.3846000     -0.6390000    
 N  -0.1624000      -1.301600      0.5972000    
 C    2.578000     -0.1121000      0.2302000    
 C   -2.653400      0.1447000     -0.1504000    
 C    1.919100      -3.048300     -0.5810000    
 C    1.955800      -2.249200       2.330800    
 C   0.1398000       1.078000      -1.182700    
 C   -1.072100      -1.523600      -2.146800    
 C    3.010900      0.1068000      -1.060100    
 C   -2.842700       1.405500      0.3682000    
 C    2.894300      0.7367000       1.269500    
 C   -3.685000     -0.7487000     -0.3297000    
 C    3.797700       1.227900      -1.323900    
 C   -4.133400       1.793800      0.7274000    
 C    3.681100       1.857800       1.005500    
 C   -4.975700     -0.3602000      2.9400000E-02
 C    4.132900       2.103400     -0.2913000    
 C   -5.199800      0.9111000      0.5580000    
 H  -0.7139000      -2.124100      0.8376000    
 H    2.972500      -3.328800     -0.4852000    
 H    1.312600      -3.928800     -0.3471000    
 H    1.736400      -2.778900      -1.624200    
 H    3.034700      -2.410300       2.412500    
 H    1.648900      -1.525500       3.091300    
 H    1.448800      -3.197000       2.535900    
 H   0.6190000       1.605200     -0.3565000    
 H   0.8398000      0.8167000      -1.974800    
 H  -0.5311000       1.812100      -1.646300    
 H  -0.1025000      -1.682400      -2.626500    
 H   -1.479500      -2.497100      -1.858700    
 H   -1.739800      -1.070100      -2.885700    
 H    2.776100     -0.5644000      -1.881200    
 H   -2.028000       2.108500      0.5149000    
 H    2.550100      0.5753000       2.286400    
 H   -3.538600      -1.746900     -0.7308000    
 H    4.151400       1.418000      -2.333100    
 H   -4.308000       2.783100       1.140400    
 H    3.940700       2.540900       1.809000    
 H   -5.806200      -1.048100     -0.1004000    
 H    4.745500       2.976400     -0.4967000    
 H   -6.204600       1.213200      0.8384000    


%chk=000076988-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076988

0 1
Si 1.698286 -1.613139 0.363696
Si -1.162352 -0.868340 -0.980809
N -0.064860 -1.327964 0.356716
C 2.660838 0.048841 0.323707
C -2.639333 0.057871 -0.180486
C 2.235784 -2.679707 -1.130191
C 2.089922 -2.521398 1.999724
C -0.217917 0.262770 -2.196502
C -1.824808 -2.393241 -1.929769
C 4.001534 0.123711 -0.146040
C -2.426220 0.969308 0.891577
C 2.060957 1.242769 0.809007
C -3.972961 -0.124483 -0.639819
C 4.717745 1.343429 -0.129189
C -3.500659 1.673115 1.482270
C 2.769599 2.465858 0.830391
C -5.053236 0.577025 -0.055106
C 4.102941 2.518895 0.361140
C -4.819230 1.479085 1.008244
H -0.539051 -1.571822 1.234022
H 3.318704 -2.901273 -1.096894
H 1.692586 -3.642101 -1.120561
H 2.026507 -2.173403 -2.089936
H 3.176218 -2.699804 2.098451
H 1.771562 -1.918590 2.870102
H 1.576049 -3.499412 2.044219
H 0.174542 1.157078 -1.682077
H 0.635965 -0.261562 -2.664007
H -0.893236 0.596158 -3.005927
H -0.978938 -2.981131 -2.331365
H -2.412731 -3.052983 -1.265841
H -2.465159 -2.100231 -2.783088
H 4.498258 -0.774440 -0.536330
H -1.408558 1.124712 1.272462
H 1.023316 1.209841 1.166014
H -4.178145 -0.825494 -1.458732
H 5.749428 1.377252 -0.498704
H -3.311326 2.369055 2.308030
H 2.284548 3.373757 1.208054
H -6.072786 0.418609 -0.425690
H 4.655342 3.465675 0.374290
H -5.654828 2.022801 1.464144


