%chk=000064763.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064763

0 1
 S    5.077200      0.8786000     -1.9900000E-02
 O   0.4797000     -0.2806000       1.898000    
 O   -1.583900       1.199400      -1.168900    
 O   -4.308300      -1.289600      -1.251900    
 O   -5.540500      -1.170000      0.6528000    
 N    1.711600     -0.6980000     -2.0600000E-02
 N   -1.811600     -0.5048000      0.3874000    
 N   -3.272500       2.744100      0.2838000    
 C    3.003200     -0.1690000      0.4855000    
 C    4.239900     -0.7235000     -0.2622000    
 C    3.299800       1.283200      3.9400000E-02
 C    5.001600      -1.835100      0.4197000    
 C    4.062600      -1.042400      -1.728900    
 C    2.778200       1.699200      -1.316900    
 C    3.031000       2.371100       1.051900    
 C   0.5525000     -0.7040000      0.7461000    
 C  -0.6444000      -1.250800     -1.9700000E-02
 C  -0.8218000      -2.738800      0.2390000    
 C   -2.187700      0.6778000     -0.2337000    
 C   -3.435400       1.293900      0.3946000    
 C   -4.714600      0.8765000     -0.3316000    
 C   -4.916600     -0.6172000     -0.2439000    
 H    3.071000     -0.3138000       1.574900    
 H    5.977200      -2.014100     -4.7699999E-02
 H    5.179900      -1.624300       1.481000    
 H    4.438600      -2.774700      0.3746000    
 H    5.018800      -1.369900      -2.160900    
 H    3.375600      -1.884200      -1.873200    
 H    3.740200     -0.2359000      -2.382100    
 H    3.559200       2.097300      -1.975600    
 H    2.224600      0.9281000      -1.857200    
 H    2.044900       2.511400      -1.216500    
 H    3.454300       3.333600      0.7408000    
 H    1.953400       2.514500       1.193600    
 H    3.447300       2.130900       2.037600    
 H    1.647600      -1.074300     -0.9619000    
 H  -0.4972000      -1.090000      -1.094300    
 H  -0.9701000      -2.942100       1.305700    
 H   -1.693500      -3.127200     -0.2985000    
 H   6.1099999E-02  -3.300000     -8.4700003E-02
 H   -2.330200     -0.8295000       1.198500    
 H   -3.492600       1.023700       1.455100    
 H   -4.692500       1.156600      -1.392500    
 H   -5.596300       1.363700      0.1019000    
 H   -2.406400       3.032700      0.7366000    
 H   -3.196600       3.017000     -0.6953000    
 H   -4.432700      -2.259400      -1.173100    


%chk=000064763-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064763

0 1
S 4.591559 1.540628 -0.421184
O 1.278003 -1.621552 2.257451
O -0.557622 -0.102615 -1.675034
O -5.869825 -0.652893 -0.726288
O -4.270933 -0.381209 0.922412
N 1.575735 -0.723318 0.114530
N -1.456908 -0.733583 0.376849
N -2.126642 2.214404 -1.795724
C 2.896429 -0.154291 0.363042
C 3.906348 -0.240920 -0.837832
C 2.973187 1.393029 0.667222
C 4.971032 -1.333742 -0.677613
C 3.277542 -0.267605 -2.240856
C 1.835695 2.241171 0.078657
C 3.224448 1.722357 2.143681
C 0.857916 -1.398724 1.081864
C -0.540688 -1.886091 0.582635
C -1.161378 -2.883726 1.568156
C -1.432600 0.044327 -0.747830
C -2.528192 1.147141 -0.867137
C -3.876905 0.540740 -1.345638
C -4.638569 -0.196196 -0.266541
H 3.312767 -0.691419 1.233893
H 5.736003 -1.263158 -1.472512
H 5.480297 -1.255507 0.297656
H 4.498279 -2.333794 -0.747831
H 4.057752 -0.088669 -3.001678
H 2.822986 -1.257272 -2.445376
H 2.502278 0.505753 -2.374780
H 2.093903 3.313243 0.146506
H 1.640499 2.005412 -0.980538
H 0.901615 2.073484 0.652176
H 3.416130 2.802074 2.285190
H 2.337098 1.445396 2.746370
H 4.091633 1.164102 2.534807
H 1.086245 -0.525085 -0.775412
H -0.392523 -2.355192 -0.410244
H -1.247403 -2.437613 2.573609
H -2.157864 -3.207666 1.219176
H -0.512999 -3.769501 1.664987
H -2.233816 -0.599727 1.039786
H -2.694798 1.591483 0.131513
H -3.735118 -0.130015 -2.214511
H -4.503040 1.377531 -1.706968
H -1.536292 2.927805 -1.352526
H -1.650711 1.826387 -2.622250
H -6.354953 -1.115285 0.010937


