%chk=000053261.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053261

0 1
 S    4.352800       2.797300      0.2082000    
 O   0.9217000      -1.987800      0.9343000    
 O   -1.630800      -3.369200      0.7494000    
 O   0.5139000      -4.639600      -1.535200    
 O   -1.650900       2.013800      -1.955400    
 O   -3.275900       2.642100      0.2105000    
 C   0.4355000      -2.611400     -0.2563000    
 C   -1.102500      -2.541600     -0.2899000    
 C   -1.684400      -1.150200     -0.1591000    
 C   0.9770000      -4.036600     -0.3308000    
 C   -1.395400     -0.2039000      -1.126500    
 C   -2.491500     -0.8554000      0.9256000    
 C   -1.931000       1.078300      -1.005400    
 C    1.711800     -0.8849000      0.7666000    
 C   -3.027000      0.4268000       1.046800    
 C   -2.746700       1.393700      8.1200004E-02
 C    2.904100     -0.9905000      5.6600001E-02
 C    1.318800      0.3359000       1.307500    
 C    3.710800      0.1346000     -0.1140000    
 C    2.125500       1.461000       1.136700    
 C    3.321500       1.360400      0.4260000    
 C  -0.4961000       2.824200      -1.746300    
 C   -4.099200       2.882300       1.350200    
 C    3.238000       3.920600     -0.6806000    
 H   0.7925000      -2.078700      -1.149800    
 H   -1.476200      -2.957500      -1.234700    
 H   0.6618000      -4.640100      0.5267000    
 H    2.071700      -4.035900     -0.3382000    
 H  -0.7669000     -0.4469000      -1.978700    
 H   -2.729100      -1.575600       1.701700    
 H   -1.533700      -4.295000      0.4695000    
 H   -3.650200      0.6010000       1.917100    
 H   0.8771000      -5.541200      -1.559100    
 H    3.228200      -1.938500     -0.3617000    
 H   0.3922000      0.4196000       1.867700    
 H    4.640400      3.6300000E-02 -0.6693000    
 H    1.804900       2.403800       1.572700    
 H  -0.4335000       3.549800      -2.561800    
 H  -0.5691000       3.367400     -0.7988000    
 H   0.4080000       2.207500      -1.756500    
 H   -4.433600       3.923400       1.292300    
 H   -3.535300       2.781300       2.283700    
 H   -4.999400       2.258400       1.336700    
 H    3.784600       4.828200     -0.9499000    
 H    2.873700       3.447700      -1.596600    
 H    2.388000       4.201500     -5.3500000E-02


%chk=000053261-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053261

0 1
S 4.294276 3.000066 0.557180
O 0.853084 -2.002353 0.857111
O -1.812681 -3.649103 0.343573
O 0.169962 -5.160354 -0.864281
O -1.530902 1.915119 -2.169162
O -2.977700 2.685174 0.147389
C 0.451465 -2.799434 -0.320224
C -1.100356 -2.729494 -0.543307
C -1.630469 -1.319802 -0.339194
C 0.929498 -4.226218 0.000329
C -1.360763 -0.318830 -1.301902
C -2.351362 -0.973675 0.821825
C -1.790069 1.010647 -1.120401
C 1.654972 -0.858366 0.691127
C -2.803750 0.350738 1.013554
C -2.535134 1.351720 0.050464
C 2.640558 -0.713176 -0.317304
C 1.477256 0.154280 1.664627
C 3.426081 0.460508 -0.356590
C 2.270380 1.317798 1.619382
C 3.241922 1.483324 0.601726
C -0.826731 3.164188 -1.815095
C -3.828560 3.028202 1.288859
C 3.263455 4.059864 -0.627938
H 0.935924 -2.406285 -1.233016
H -1.258135 -3.039161 -1.599266
H 0.713826 -4.424031 1.067493
H 2.017198 -4.320551 -0.180778
H -0.811711 -0.540038 -2.224942
H -2.566323 -1.750528 1.559569
H -1.548945 -4.562016 0.042214
H -3.378225 0.591808 1.913404
H 0.543122 -6.071830 -0.779714
H 2.820897 -1.502533 -1.054704
H 0.707762 0.015701 2.429651
H 4.197821 0.574656 -1.125281
H 2.135635 2.103273 2.370180
H -0.697493 3.697947 -2.769434
H -1.423349 3.768108 -1.111368
H 0.164025 2.934366 -1.374534
H -4.094543 4.085335 1.140528
H -3.287435 2.910359 2.248105
H -4.746675 2.409817 1.303082
H 3.806578 5.011284 -0.744677
H 3.174228 3.555070 -1.602217
H 2.267484 4.244826 -0.196441


