%chk=000156267.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156267

0 1
 S    2.726200       1.887200      0.8435000    
 O   -3.672200       2.377700      -1.003200    
 N   -3.126400      -1.251900     -0.3656000    
 N   -3.177100      -3.023900      0.9479000    
 C    5.525700      -1.007600     -0.2411000    
 C    4.902400      0.2843000      0.3237000    
 C   -3.204500       1.252500     -0.2452000    
 C    3.385100      0.3402000      0.1544000    
 C   -3.566900     -2.8899999E-02  -1.025800    
 C   -1.745700       1.408300      2.2600001E-02
 C    4.917700      -2.226100      0.4579000    
 C    5.337800      -1.134100      -1.753700    
 C   0.9762000       1.699700      0.5222000    
 C   -1.288800       1.553300       1.332400    
 C  -0.8383000       1.409500      -1.036800    
 C   7.5700000E-02   1.699300       1.582900    
 C   0.5260000       1.555500     -0.7863000    
 C   -1.926900      -1.861800     -0.5434000    
 C   -3.847600      -1.972600      0.5316000    
 C   -1.978600      -2.960400      0.2820000    
 H    6.601400     -0.9819000     -2.7100001E-02
 H    5.366900       1.144100     -0.1764000    
 H    5.160200      0.3610000       1.388300    
 H   -3.760700       1.256900      0.7006000    
 H    3.117800      0.2866000     -0.9039000    
 H    2.895200     -0.4848000      0.6787000    
 H   -4.654300     -9.7999997E-02  -1.156300    
 H   -3.143000     -2.6799999E-02  -2.037400    
 H    5.482800      -3.127900      0.1957000    
 H    3.878600      -2.404200      0.1637000    
 H    4.958400      -2.118800       1.546900    
 H    4.289200      -1.277500      -2.032100    
 H    5.897600      -1.995400      -2.134800    
 H    5.710500     -0.2418000      -2.267300    
 H   -1.982700       1.553500       2.168800    
 H   -1.175400       1.309800      -2.064900    
 H   0.4145000       1.810400       2.609800    
 H    1.213100       1.565400      -1.628300    
 H   -1.166200      -1.499800      -1.220100    
 H   -4.843800      -1.695100      0.8479000    
 H   -4.630400       2.267500      -1.127700    
 H   -1.215500      -3.710900      0.4274000    


%chk=000156267-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156267

0 1
S 2.588080 0.298040 1.536609
O -2.955348 1.629456 -2.215243
N -4.127888 -0.965736 0.278292
N -5.234189 -1.479434 2.196628
C 6.200564 -0.604347 -0.507898
C 5.150700 -0.268998 0.594058
C -3.075282 1.044543 -0.867079
C 3.721199 -0.058522 0.061438
C -3.827568 -0.321743 -1.005864
C -1.671495 0.894464 -0.309890
C 5.906020 -1.949538 -1.215511
C 6.366446 0.542213 -1.535089
C 0.948969 0.519445 0.746426
C -1.432408 0.998367 1.082672
C -0.582103 0.608134 -1.166342
C -0.138960 0.811772 1.609497
C 0.717923 0.423379 -0.648071
C -3.297582 -1.835725 1.001142
C -5.281651 -0.781076 1.045371
C -3.993349 -2.141159 2.172873
H 7.168268 -0.715222 0.025491
H 5.474009 0.646133 1.128881
H 5.141363 -1.090581 1.337774
H -3.674599 1.702882 -0.202168
H 3.667194 0.803811 -0.623943
H 3.342142 -0.961357 -0.446061
H -4.786900 -0.149508 -1.531758
H -3.216417 -0.997161 -1.628988
H 6.735391 -2.223322 -1.893518
H 4.985778 -1.894753 -1.827353
H 5.780055 -2.769770 -0.484079
H 5.459836 0.664088 -2.157339
H 7.209729 0.334227 -2.219222
H 6.566399 1.507087 -1.032475
H -2.259382 1.222646 1.766827
H -0.750741 0.562748 -2.246919
H 0.025268 0.895966 2.689468
H 1.538236 0.214106 -1.340852
H -2.319567 -2.135535 0.634683
H -6.112117 -0.159166 0.716730
H -3.855901 1.860382 -2.558174
H -3.686124 -2.788733 2.990472


