%chk=000093685.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093685

0 1
 S   -1.517300      -1.128000      -1.326000    
 S    1.517200      -1.126200      -1.326600    
 N   -3.637000      -2.182400      0.6743000    
 N    3.637400      -2.182700      0.6721000    
 C   -2.782100     -0.1915000     -0.4733000    
 C    2.780100     -0.1925000     -0.4753000    
 C   -3.679800     -0.7947000      0.4077000    
 C    3.680300     -0.7947000      0.4068000    
 C  -7.9999998E-04 -0.3135000     -0.7254000    
 C   -2.854900       1.181000     -0.7118000    
 C    2.855200       1.182100     -0.7106000    
 C   -4.649900     -2.5400000E-02   1.050200    
 C    4.650500     -2.6100000E-02   1.050000    
 C   -3.824800       1.950200     -6.9200002E-02
 C    3.825400       1.950700     -6.7500003E-02
 C   -4.722400       1.347100      0.8117000    
 C    4.722900       1.346600      0.8128000    
 H  -3.9999999E-04 -0.3327000      0.3688000    
 H  -1.1000000E-03  0.7265000      -1.060300    
 H   -2.175900       1.675700      -1.401800    
 H    2.176100       1.678100      -1.399700    
 H   -5.356400     -0.4815000       1.739300    
 H    5.356900     -0.4829000       1.738600    
 H   -3.883300       3.018400     -0.2567000    
 H    3.883700       3.019100     -0.2538000    
 H   -5.478100       1.946100       1.311300    
 H    5.478600       1.945100       1.313100    
 H   -4.297600      -2.597800       1.317400    
 H   -2.940500      -2.758400      0.2205000    
 H    4.298100      -2.598800       1.314700    
 H    2.940800      -2.758200      0.2178000    


%chk=000093685-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093685

0 1
S -1.545332 -0.719071 -1.867874
S 1.544864 -0.732558 -1.858001
N -2.408088 -1.914873 0.832092
N 2.404303 -1.906212 0.852886
C -2.794726 -0.030631 -0.691884
C 2.795112 -0.036177 -0.687579
C -3.076623 -0.734887 0.523905
C 3.074964 -0.730140 0.534584
C 0.000595 0.051355 -1.065699
C -3.482871 1.159296 -1.010002
C 3.485676 1.149634 -1.015759
C -4.053743 -0.184113 1.406813
C 4.052515 -0.173343 1.413231
C -4.451798 1.691268 -0.129628
C 4.454948 1.687659 -0.139452
C -4.724778 1.009822 1.081515
C 4.725885 1.016468 1.077866
H -0.004024 -0.164379 0.013102
H 0.006144 1.132937 -1.258744
H -3.252574 1.663337 -1.954775
H 3.256972 1.645666 -1.965151
H -4.282555 -0.706061 2.344081
H 4.279773 -0.687401 2.355225
H -4.981173 2.614730 -0.383524
H 4.986196 2.607858 -0.401164
H -5.472256 1.409695 1.776592
H 5.473617 1.421135 1.769888
H -2.644068 -2.441605 1.667789
H -1.818172 -2.339300 0.115241
H 2.638504 -2.425541 1.693695
H 1.813612 -2.335867 0.139830


