%chk=000175654.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000175654

0 1
 S    1.348600      -2.248300      0.3984000    
 O   -1.501500       1.227100     -0.6685000    
 N   -3.180000     -0.1430000      0.1436000    
 N  -0.9125000     -0.8864000      0.1367000    
 N    2.824000      -1.647200     -7.5900003E-02
 C    4.497100       1.180000      7.3000002E-03
 C    3.812000      0.3119000      -1.067300    
 C   -4.256900      0.8177000     -8.7399997E-02
 C    2.612000     -0.4408000     -0.5673000    
 C    3.527300       2.175300      0.6494000    
 C    5.105300      0.2836000       1.088900    
 C   -4.922100       1.194300       1.230100    
 C   -5.270600      0.2569000      -1.077100    
 C    1.295300      6.4099997E-02 -0.5949000    
 C   -1.831900      0.1458000     -0.1769000    
 C   0.4367000     -0.8741000     -6.4199999E-02
 C   -3.582700      -1.417200      0.7251000    
 H    5.306900       1.740100     -0.4765000    
 H    4.540300     -0.3896000      -1.495700    
 H    3.500200      0.9597000      -1.897600    
 H   -3.828200       1.727700     -0.5221000    
 H    2.771200       1.684600       1.270400    
 H    3.018600       2.773600     -0.1137000    
 H    4.075600       2.867300       1.298400    
 H    5.721400      0.8827000       1.769000    
 H    4.344700     -0.2133000       1.699200    
 H    5.753100     -0.4821000      0.6492000    
 H   -5.645000       2.002500       1.072600    
 H   -5.463600      0.3628000       1.691200    
 H   -4.179200       1.548500       1.953400    
 H   -4.775300     -6.5899998E-02  -1.999600    
 H   -6.003900       1.025800      -1.344600    
 H   -5.829500     -0.5974000     -0.6838000    
 H    1.004200       1.033900     -0.9747000    
 H   -3.277400      -2.226500      5.4200001E-02
 H   -4.658100      -1.499400      0.8899000    
 H   -3.078000      -1.540800       1.688500    
 H   -1.256400      -1.743100      0.5558000    


%chk=000175654-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000175654

0 1
S 1.394457 -2.646496 0.294012
O -1.352393 1.079195 -0.486747
N -3.146874 -0.268136 0.214098
N -0.946258 -1.140514 0.174022
N 2.952426 -1.852762 -0.238533
C 4.396096 1.256602 -0.012652
C 3.803292 0.283134 -1.084963
C -4.111992 0.852090 -0.003152
C 2.653946 -0.581166 -0.603665
C 3.378373 2.321537 0.458923
C 4.995300 0.484381 1.185078
C -4.800666 1.267341 1.316544
C -5.128189 0.511059 -1.116620
C 1.279974 -0.143246 -0.517075
C -1.798971 -0.029609 -0.061201
C 0.435239 -1.140861 -0.045942
C -3.641894 -1.567097 0.695737
H 5.225505 1.787374 -0.527113
H 4.612082 -0.385199 -1.432695
H 3.459249 0.876827 -1.954360
H -3.480621 1.689018 -0.348591
H 2.551029 1.859678 1.027741
H 2.938645 2.870487 -0.395333
H 3.870227 3.059624 1.119614
H 5.467366 1.181418 1.902628
H 4.213028 -0.084186 1.719742
H 5.760311 -0.241356 0.852992
H -5.437417 2.153500 1.142954
H -5.450555 0.466716 1.718560
H -4.050626 1.527665 2.083686
H -4.607173 0.249666 -2.054110
H -5.775474 1.384606 -1.314060
H -5.787419 -0.332212 -0.834773
H 0.923683 0.845729 -0.795920
H -3.439446 -2.386670 -0.023675
H -4.734138 -1.514299 0.818446
H -3.219398 -1.838284 1.684904
H -1.359026 -2.004752 0.524997


