%chk=000163650.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163650

0 1
 S  -0.6571000      -2.138100      0.2870000    
 O    4.102000     -0.8148000      0.3321000    
 O    1.708600       1.827600     -4.0600002E-02
 N   -2.232800      -1.622500      0.1696000    
 N    1.411200     -0.4801000      0.1919000    
 N    3.531400      0.4641000      0.1751000    
 C   -3.524700      0.3918000     -9.6299998E-02
 C   -2.224100     -0.2991000      2.8700000E-02
 C   -3.656300       1.173900      -1.449400    
 C   -3.758500       1.434600       1.051800    
 C   -4.794500     -0.5341000     -5.1600002E-02
 C  -0.9546000      0.3462000      1.0200000E-02
 C   1.9800000E-02 -0.5874000      0.1483000    
 C    2.162200      0.6911000      9.6699998E-02
 C    4.525800       1.519200      0.1041000    
 C    4.341500      -1.372400     -0.9577000    
 H   -3.547600      0.4929000      -2.301600    
 H   -2.879600       1.941900      -1.538900    
 H   -4.627800       1.673800      -1.534100    
 H   -3.725000      0.9444000       2.031700    
 H   -2.984600       2.210600       1.043800    
 H   -4.729100       1.933500      0.9528000    
 H   -4.844500      -1.084700      0.8952000    
 H   -4.772200      -1.268600     -0.8652000    
 H   -5.720600      4.4100001E-02 -0.1499000    
 H  -0.8009000       1.411200     -9.7300000E-02
 H    1.908800      -1.357000      0.3155000    
 H    4.055500       2.505400      8.7399997E-02
 H    5.120000       1.394000     -0.8046000    
 H    5.179800       1.443800      0.9774000    
 H    4.621600      -2.421200     -0.8248000    
 H    5.171700     -0.8572000      -1.449400    
 H    3.448100      -1.333500      -1.588900    


%chk=000163650-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163650

0 1
S -0.742840 -2.376607 0.303621
O 3.963775 -0.835674 0.151299
O 1.491715 1.777499 -0.170926
N -2.436242 -1.703743 0.213490
N 1.376207 -0.576489 0.077944
N 3.449586 0.498688 -0.207370
C -3.631110 0.457958 -0.067078
C -2.338990 -0.365377 0.042213
C -3.638696 1.190261 -1.441387
C -3.649584 1.506962 1.083913
C -4.882518 -0.448034 0.041147
C -1.018164 0.220665 -0.025639
C -0.012018 -0.726877 0.098885
C 2.045084 0.644098 -0.086708
C 4.351854 1.595402 0.172778
C 4.666257 -1.419393 -1.020256
H -3.629645 0.463386 -2.273671
H -2.763092 1.854275 -1.555842
H -4.552104 1.807590 -1.530541
H -3.636911 1.008257 2.069904
H -2.780583 2.187407 1.032535
H -4.568740 2.118611 1.016848
H -4.907910 -0.980892 1.007057
H -4.892498 -1.210372 -0.756544
H -5.794727 0.171140 -0.047438
H -0.807479 1.280963 -0.152102
H 1.986876 -1.383166 0.243278
H 3.816868 2.537684 -0.023000
H 5.267071 1.564572 -0.441737
H 4.622177 1.540937 1.244543
H 4.980262 -2.419443 -0.680478
H 5.552693 -0.814856 -1.282082
H 3.986928 -1.492032 -1.887655


