%chk=000094710.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094710

0 1
 Si   2.199900     -3.8000001E-03  3.2400001E-02
 O    3.441400     -1.0200000E-02  -1.096400    
 O    2.320900      -1.369600      0.9979000    
 O    2.357800       1.360100      0.9965000    
 N   -3.141400      1.5699999E-02  9.5799997E-02
 N   -8.062400      1.0800000E-02  0.3398000    
 C   0.5478000      2.9100001E-02 -0.8614000    
 C  -0.6898000      3.7799999E-02  4.4000000E-02
 C   -1.976500      1.5799999E-02 -0.7814000    
 C   -4.374600      5.5000000E-03 -0.6783000    
 C   -5.614100      1.4000000E-02  0.2191000    
 C    4.789600     -3.4200002E-02 -0.6492000    
 C    2.239400      -2.657300      0.4042000    
 C    2.318500       2.647800      0.3986000    
 C   -6.923500     -1.5400000E-02 -0.5715000    
 C    5.708400     -3.5200000E-02  -1.852400    
 C    2.376400      -3.708200       1.485200    
 C    2.482200       3.697400       1.477000    
 H   0.5241000      0.9104000      -1.513100    
 H   0.5035000     -0.8440000      -1.523400    
 H  -0.6678000     -0.8334000      0.7122000    
 H  -0.6771000      0.9293000      0.6849000    
 H   -1.998100      0.8972000      -1.433600    
 H   -1.983600     -0.8762000      -1.419700    
 H   -3.112200     -0.7975000      0.7100000    
 H   -4.407500     -0.8843000      -1.319300    
 H   -4.410500      0.8855000      -1.332100    
 H   -5.577800     -0.8528000      0.8926000    
 H   -5.591900      0.9093000      0.8548000    
 H    5.004700      0.8485000     -3.4499999E-02
 H    4.978900     -0.9352000     -5.2900001E-02
 H    1.272700      -2.787200     -9.7300000E-02
 H    3.041600      -2.791100     -0.3318000    
 H    3.127900       2.755400     -0.3338000    
 H    1.358700       2.806300     -0.1077000    
 H   -6.971300     -0.9183000      -1.189900    
 H   -6.978400      0.8510000      -1.238900    
 H    5.511800     -0.9057000      -2.487000    
 H    5.537300      0.8534000      -2.469000    
 H    6.757400     -5.3599998E-02  -1.543700    
 H    3.332400      -3.600900       2.008400    
 H    1.587900      -3.594100       2.236400    
 H    2.317300      -4.714900       1.061900    
 H    1.686900       3.609700       2.224700    
 H    3.431900       3.562800       2.005300    
 H    2.455700       4.704100       1.050600    
 H   -8.925800     -6.0400002E-02 -0.1969000    
 H   -8.035200     -0.8076000      0.9469000    


%chk=000094710-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094710

0 1
Si 2.214982 -0.115347 -0.091877
O 3.477825 -0.258126 -1.260134
O 2.241568 -1.420345 1.031608
O 2.457801 1.238595 0.944499
N -3.154453 0.059452 -0.140853
N -8.093131 0.165687 0.428887
C 0.601135 -0.035487 -1.077653
C -0.665804 0.012709 -0.186105
C -1.965306 -0.005928 -1.015713
C -4.450799 0.065074 -0.852956
C -5.628192 0.126663 0.138673
C 4.921383 -0.183627 -0.986655
C 2.566200 -2.818421 0.729958
C 2.132654 2.633773 0.620954
C -7.000806 0.119914 -0.564418
C 5.643273 0.068787 -2.311055
C 2.597035 -3.584838 2.053204
C 2.189020 3.441591 1.918177
H 0.635670 0.846887 -1.747143
H 0.568550 -0.921735 -1.742763
H -0.660649 -0.849826 0.512059
H -0.668191 0.921173 0.446534
H -1.986064 0.876726 -1.686982
H -1.960842 -0.909149 -1.681576
H -3.128522 -0.677814 0.579116
H -4.576588 -0.824197 -1.525573
H -4.475007 0.959304 -1.508523
H -5.571003 -0.744284 0.828644
H -5.543557 1.034700 0.761565
H 5.126686 0.628263 -0.259307
H 5.256343 -1.139838 -0.534020
H 1.801399 -3.247987 0.047979
H 3.548583 -2.880578 0.216554
H 2.864529 3.026145 -0.115554
H 1.120745 2.699671 0.165758
H -7.048459 -0.763270 -1.250660
H -7.082234 1.022007 -1.201715
H 5.416787 -0.737435 -3.030087
H 5.315703 1.026084 -2.751992
H 6.738042 0.106217 -2.155741
H 3.361051 -3.156209 2.724001
H 1.618455 -3.513922 2.558419
H 2.831422 -4.652184 1.880081
H 1.455782 3.051858 2.644607
H 3.193373 3.367255 2.369271
H 1.965832 4.507430 1.722435
H -9.024644 0.319394 0.031260
H -8.084076 -0.619013 1.088816


