%chk=000164036.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164036

0 1
 S   7.1800001E-02   1.827000     -0.3883000    
 O    1.290100       2.406200     -0.9297000    
 O   -1.167200       1.832600      -1.148800    
 O    3.978700     -0.6949000     -1.4700000E-02
 O    3.124100       1.325100      0.6526000    
 N  -0.5140000     -0.8344000      4.8500001E-02
 N  -1.6300000E-02  -2.051800      0.3526000    
 C   0.4499000      0.1390000     -9.6000005E-03
 C    1.641600     -0.4826000      0.2732000    
 C   -1.871100     -0.6774000     -0.1669000    
 C    1.293800      -1.829700      0.4878000    
 C   -2.715800     -0.3689000      0.8994000    
 C  -0.2476000       2.556400       1.202000    
 C   -2.394900     -0.8269000      -1.450900    
 C   -4.084400     -0.2102000      0.6818000    
 C    2.930100      0.1382000      0.3281000    
 C   -3.763600     -0.6679000      -1.668700    
 C   -4.608300     -0.3598000     -0.6023000    
 C   -4.988100      0.1194000       1.821500    
 C    5.297300     -0.1371000      1.8700000E-02
 C    6.293700      -1.202400     -0.3863000    
 H    1.936700      -2.661700      0.7382000    
 H   -2.310100     -0.2521000       1.902300    
 H   0.6410000       2.449900       1.826700    
 H  -0.4673000       3.615000       1.047600    
 H   -1.105500       2.064200       1.660700    
 H   -1.748900      -1.067600      -2.291900    
 H   -4.171300     -0.7837000      -2.668700    
 H   -5.672400     -0.2368000     -0.7856000    
 H   -4.638800     -0.3488000       2.748200    
 H   -5.027500       1.203400       1.967900    
 H   -6.004700     -0.2463000       1.641400    
 H    5.352100      0.7071000     -0.6773000    
 H    5.518200      0.2121000       1.033200    
 H    7.314100     -0.8094000     -0.3715000    
 H    6.235500      -2.061400      0.2903000    
 H    6.072400      -1.574500      -1.392000    


%chk=000164036-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000164036

0 1
S -0.126382 2.296567 -0.490494
O -0.191372 2.437990 -2.115594
O -1.439393 2.653735 0.415119
O 3.855187 -0.697576 0.341975
O 3.312799 1.387267 -0.540126
N -0.675003 -0.452654 0.160108
N -0.141973 -1.687147 0.581377
C 0.328554 0.470151 -0.076005
C 1.567794 -0.180000 0.153462
C -2.102471 -0.373326 -0.049524
C 1.201342 -1.499313 0.573031
C -2.950106 -0.993765 0.892405
C 1.274440 3.408028 0.181193
C -2.613867 0.248348 -1.209896
C -4.351853 -0.977602 0.703612
C 2.946443 0.284046 -0.054167
C -4.010905 0.266742 -1.395471
C -4.870758 -0.339221 -0.452896
C -5.276174 -1.606049 1.731508
C 5.301222 -0.373175 0.131496
C 6.095590 -1.584782 0.605832
H 1.873025 -2.307539 0.850324
H -2.509748 -1.486343 1.764861
H 2.199591 3.109573 -0.326545
H 0.916887 4.415873 -0.075603
H 1.298199 3.242259 1.267115
H -1.947931 0.700806 -1.952898
H -4.426578 0.747527 -2.286923
H -5.954868 -0.321677 -0.615845
H -4.823662 -2.502529 2.190654
H -5.498014 -0.893778 2.549636
H -6.239788 -1.900782 1.280961
H 5.452934 -0.156428 -0.941171
H 5.537085 0.541419 0.704904
H 7.176094 -1.394989 0.472555
H 5.908767 -1.787641 1.674119
H 5.828193 -2.484713 0.026411


