%chk=000076831.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076831

0 1
 S    3.968700      0.3834000     -0.7610000    
 O    1.543400       2.149000     -0.5251000    
 O   0.4634000      -3.252100     -0.1572000    
 O  -0.9533000       2.593100     -0.2246000    
 O   -2.027900      -2.628900      0.1347000    
 O    6.463600       1.400200      0.7346000    
 C  -8.4399998E-02  0.3926000     -0.2412000    
 C  -0.3664000     -0.9718000     -0.1474000    
 C   -2.557000      0.9239000      5.2800000E-02
 C   -2.839100     -0.4405000      0.1466000    
 C   -1.169400       1.390300     -0.1445000    
 C   -1.754100      -1.438300      5.0000001E-02
 C    1.235100      0.8216000     -0.4284000    
 C   0.6711000      -1.907300     -0.2409000    
 C    2.265900     -0.1138000     -0.5211000    
 C    1.984500      -1.475400     -0.4275000    
 C   -3.594500       1.859400      0.1456000    
 C   -4.158700     -0.8696000      0.3333000    
 C   -4.908100       1.427600      0.3318000    
 C   -5.189500      6.6100001E-02  0.4254000    
 C    4.758000     -0.3047000      0.7197000    
 C    6.248600     -4.9000001E-03  0.7444000    
 H    2.781700      -2.211000     -0.5116000    
 H   -3.403300       2.926900      7.5800002E-02
 H   -4.406100      -1.925000      0.4096000    
 H   -5.712600       2.153900      0.4037000    
 H   -6.213100     -0.2674000      0.5702000    
 H    4.277600      0.1460000       1.594700    
 H    4.609700      -1.387600      0.7607000    
 H   0.7611000       2.703900     -0.3944000    
 H    1.311000      -3.720600     -0.2441000    
 H    6.769400     -0.4489000     -0.1108000    
 H    6.698200     -0.4073000       1.657400    
 H    6.050700       1.751900     -7.2499998E-02


%chk=000076831-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076831

0 1
S 3.910799 0.817218 -0.375486
O 1.421661 2.276404 -0.489758
O 0.516226 -3.164884 0.460928
O -1.013712 2.683880 -0.440428
O -2.116333 -2.654086 0.513823
O 6.524453 0.723405 1.574904
C -0.172281 0.453878 -0.105322
C -0.424895 -0.945170 0.142053
C -2.657690 0.961278 -0.069536
C -2.922341 -0.416753 0.175345
C -1.268239 1.424739 -0.214596
C -1.820119 -1.435545 0.292990
C 1.159615 0.955771 -0.253287
C 0.703325 -1.804340 0.229346
C 2.275619 0.060830 -0.153469
C 2.027996 -1.297886 0.076038
C -3.727198 1.888492 -0.174143
C -4.263821 -0.848840 0.312212
C -5.055842 1.446708 -0.035866
C -5.323592 0.074070 0.207984
C 5.075157 -0.622710 0.054386
C 6.469710 -0.030880 0.322910
H 2.861796 -2.007200 0.134685
H -3.487708 2.939297 -0.362729
H -4.442936 -1.912198 0.499271
H -5.882667 2.160110 -0.116262
H -6.358373 -0.268619 0.315279
H 4.704653 -1.112201 0.970989
H 5.092451 -1.334573 -0.789125
H 0.482248 2.760130 -0.527030
H 1.388623 -3.635632 0.504915
H 6.806058 0.583076 -0.539794
H 7.189158 -0.856277 0.458166
H 5.852399 1.453207 1.539305


