%chk=000085402.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085402

0 1
 Si -1.9999999E-04   1.557100     -7.7000000E-02
 N   -1.575400       1.270200      0.5370000    
 N    1.011600      0.3630000      0.6232000    
 C   -2.324500      4.2800002E-02  0.3758000    
 C    2.429400      0.2087000      0.3778000    
 C   -3.531700      4.7600001E-02   1.316800    
 C   -2.756900     -0.1013000      -1.085000    
 C    3.036300     -0.7248000       1.428000    
 C    2.645000     -0.3299000      -1.038200    
 C   -4.407500      -1.185700       1.109500    
 C   -3.635000      -1.333400      -1.290300    
 C    4.512700     -0.9959000       1.149100    
 C    4.121400     -0.6030000      -1.314700    
 C   -4.835500      -1.332200     -0.3481000    
 C    4.728700      -1.529000     -0.2645000    
 C   4.4999998E-03   1.393000      -1.931500    
 C   0.5771000       3.253000      0.4321000    
 H   -1.704500     -0.8217000      0.6496000    
 H    2.934500       1.180200      0.4707000    
 H   -4.141500      0.9457000       1.149400    
 H   -3.197600      8.2300000E-02   2.361300    
 H   -1.906900     -0.2339000      -1.752500    
 H   -3.306400      0.7890000      -1.418100    
 H    2.498200      -1.682200       1.442600    
 H    2.931500     -0.2880000       2.428800    
 H    2.327600      0.3846000      -1.797900    
 H    2.074700      -1.255200      -1.193600    
 H   -2.182400       2.067400      0.3468000    
 H   0.5628000     -0.5517000      0.5875000    
 H   -5.294700      -1.119800       1.749300    
 H   -3.855700      -2.081600       1.419700    
 H   -3.039700      -2.239200      -1.119700    
 H   -3.982400      -1.371000      -2.329100    
 H    4.899400      -1.716900       1.878100    
 H    5.085200     -6.9600001E-02   1.281300    
 H    4.672800      0.3454000      -1.325900    
 H    4.235000      -1.049800      -2.309000    
 H   -5.404000      -2.260600     -0.4739000    
 H   -5.507300     -0.5071000     -0.6153000    
 H    5.801500      -1.647900     -0.4538000    
 H    4.276400      -2.524600     -0.3515000    
 H   0.8543000       1.933200      -2.361400    
 H   6.6200003E-02  0.3548000      -2.268300    
 H  -0.8947000       1.842500      -2.365300    
 H    1.585900       3.453100      5.8200002E-02
 H  -8.6499996E-02   4.026800      3.4100000E-02
 H   0.5957000       3.353300       1.521800    


%chk=000085402-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085402

0 1
Si -0.022425 1.941994 0.054867
N -1.713819 1.450715 0.267180
N 1.001217 0.613855 0.649501
C -2.315240 0.178931 -0.179004
C 2.256544 0.077938 0.088251
C -2.810162 -0.677651 1.018577
C -3.470780 0.401854 -1.192242
C 3.462579 0.295889 1.044124
C 2.129465 -1.428647 -0.270335
C -3.447000 -2.011903 0.559041
C -4.110615 -0.930516 -1.654317
C 4.779607 -0.277248 0.465920
C 3.443675 -2.005048 -0.851680
C -4.595680 -1.770798 -0.448792
C 4.633452 -1.776254 0.111001
C 0.477642 2.245019 -1.765036
C 0.127461 3.569348 1.048860
H -1.513453 -0.396838 -0.689519
H 2.466836 0.629983 -0.850885
H -3.559828 -0.086419 1.587735
H -1.959228 -0.861869 1.702238
H -3.085716 0.975742 -2.056884
H -4.246465 1.033050 -0.706904
H 3.237133 -0.204001 2.010850
H 3.562304 1.377376 1.258677
H 1.290894 -1.559341 -0.981246
H 1.858630 -1.985823 0.652490
H -2.366830 2.076618 0.746484
H 0.732156 0.165289 1.531563
H -3.817188 -2.579381 1.435391
H -2.667956 -2.640249 0.078406
H -3.360279 -1.516193 -2.225819
H -4.951306 -0.728802 -2.346804
H 5.607520 -0.130877 1.187066
H 5.052106 0.287190 -0.450604
H 3.661567 -1.510080 -1.821403
H 3.323762 -3.085132 -1.066080
H -5.010063 -2.737267 -0.796862
H -5.421191 -1.232325 0.062006
H 5.570629 -2.157186 -0.340019
H 4.465150 -2.356753 1.042017
H 1.517607 2.609222 -1.858275
H 0.378695 1.326181 -2.371500
H -0.187691 3.012890 -2.200630
H 1.150010 3.980819 0.966123
H -0.576975 4.338439 0.679486
H -0.079353 3.395957 2.120888


