%chk=000087396.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087396

0 1
 Si   3.824000     -0.1068000     -3.1000001E-03
 Si  -4.136800     -0.2573000     -1.0000000E-03
 N    2.135000     -0.5119000      8.9999998E-04
 N   -2.478200     -0.5874000      1.0000000E-03
 N   0.3122000      -1.795200      1.3000000E-03
 N    1.098100       1.684800     -2.2000000E-03
 N   -1.336500       1.515700     -2.6000000E-03
 C    1.070300      0.3436000     -5.0000002E-04
 C    4.825700      -1.447000     -0.8947000    
 C    4.478600      2.8400000E-02   1.771200    
 C    4.209600       1.538700     -0.8626000    
 C  -5.0200000E-02 -0.4717000      1.9999999E-04
 C   -1.279400      0.1677000     -6.0000003E-04
 C    1.628900      -1.784700      1.3000000E-03
 C   -5.027400      -1.897700      3.4000000E-03
 C   -4.559200      0.7038000       1.533600    
 C   -4.557400      0.6939000      -1.542300    
 C  -0.1573000       2.183200     -3.3000000E-03
 H    4.744700      -2.403500     -0.3703000    
 H    4.463000      -1.575700      -1.918600    
 H    5.881800      -1.164300     -0.9334000    
 H    5.546400      0.2655000       1.764700    
 H    3.948700      0.8178000       2.312000    
 H    4.334300     -0.9168000       2.302400    
 H    3.789300       2.377700     -0.3012000    
 H    5.292100       1.681400     -0.9321000    
 H    3.792900       1.546700      -1.873800    
 H   -2.264400      -1.583800      2.6000000E-03
 H    2.247700      -2.673300      5.4000001E-03
 H   -6.111600      -1.750200      2.3000001E-03
 H   -4.765600      -2.487700     -0.8802000    
 H   -4.766800      -2.482200      0.8910000    
 H   -4.038000       1.665800       1.553700    
 H   -5.633700      0.9045000       1.584200    
 H   -4.278500      0.1498000       2.434600    
 H   -4.275800      0.1340000      -2.439500    
 H   -5.631900      0.8943000      -1.595300    
 H   -4.036000       1.655600      -1.568100    
 H  -0.2331000       3.265300     -4.9000001E-03


%chk=000087396-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087396

0 1
Si 3.991277 -0.032392 -0.051840
Si -4.164650 -0.199929 0.028617
N 2.246570 -0.638875 -0.151536
N -2.467156 -0.853731 -0.131006
N 0.405186 -2.022341 -0.401889
N 1.050322 1.502120 0.282231
N -1.395861 1.229256 0.258169
C 1.103346 0.159348 0.018059
C 5.066707 -1.570394 -0.379449
C 4.224220 0.668065 1.698105
C 4.185626 1.297927 -1.393276
C -0.014263 -0.704402 -0.138141
C -1.311534 -0.122920 -0.006452
C 1.749763 -1.934335 -0.400521
C -5.229632 -1.760533 -0.252620
C -4.421251 0.507476 1.776822
C -4.479967 1.107057 -1.318304
C -0.237374 1.947575 0.384345
H 4.901456 -2.354049 0.381937
H 4.866870 -2.002365 -1.376749
H 6.136768 -1.294503 -0.345394
H 5.239919 1.085203 1.827634
H 3.489550 1.474508 1.868806
H 4.071575 -0.111797 2.465289
H 3.446405 2.099963 -1.221594
H 5.197778 1.742252 -1.367723
H 4.018964 0.878256 -2.401323
H -2.308884 -1.847943 -0.327662
H 2.412758 -2.779173 -0.574296
H -6.305528 -1.514972 -0.188882
H -5.046342 -2.198068 -1.251445
H -5.018662 -2.534377 0.508510
H -3.719210 1.341737 1.945430
H -5.454209 0.882879 1.902037
H -4.239937 -0.264132 2.546595
H -4.345088 0.676428 -2.326850
H -5.509281 1.506157 -1.248841
H -3.768560 1.941386 -1.195540
H -0.362171 3.014636 0.594249


