%chk=000076197.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076197

0 1
 S    1.007200      -2.537600      -1.797100    
 O    2.812100       2.411300     -0.5207000    
 O   -2.350300      -1.074600      -1.815100    
 O   -1.928900       3.380000       1.104600    
 O   0.5720000      -3.683900      -2.573000    
 O    2.424000      -2.271700      -1.637400    
 N   0.2040000      -1.132500      -2.381400    
 N   0.6304000       3.565700      0.7032000    
 C  -0.9049000      0.6066000     -0.9796000    
 C  -0.7938000       1.770700     -0.2164000    
 C   0.2319000      5.6699999E-02  -1.584000    
 C   -3.407000      0.5394000     -0.5128000    
 C   -2.215600     -5.1899999E-02  -1.155200    
 C   -3.295900       1.703700      0.2503000    
 C   0.4544000       2.384700     -5.7200000E-02
 C   -1.985200       2.361800      0.4265000    
 C    1.473700      0.6717000      -1.422800    
 C    1.584700       1.833200     -0.6610000    
 C   -4.655100     -7.4500002E-02 -0.6721000    
 C   -4.432900       2.254000      0.8541000    
 C   0.3054000      -2.715300     -0.1820000    
 C   -5.785600      0.4772000     -6.8700001E-02
 C   -5.674700       1.638900      0.6930000    
 C  -0.8395000      -3.475000     -2.4700001E-02
 C   0.9167000      -2.091000      0.8900000    
 C  -0.7904000      -2.993200       2.342100    
 C   -1.392200      -3.615200       1.248300    
 C   0.3641000      -2.231100       2.163000    
 C    3.812900       1.656300      6.4499997E-02
 C   -1.380400      -3.144100       3.703400    
 C    3.529900      0.9309000       1.208500    
 C    5.072600       1.645700     -0.5078000    
 C    4.539200      0.1704000       1.799000    
 C    6.081900      0.8851000      8.2599998E-02
 C    5.815200      0.1475000       1.236000    
 H    2.353900      0.2725000      -1.920500    
 H  -0.6688000      -1.292200      -2.899800    
 H   -4.770300     -0.9812000      -1.260000    
 H   -4.375700       3.158900       1.453200    
 H    1.554700       3.967700      0.7920000    
 H  -0.1497000       4.008100       1.167200    
 H   -6.753600      3.0000001E-04 -0.1926000    
 H   -6.556400       2.066200       1.161800    
 H   -1.327900      -3.959200     -0.8645000    
 H    1.818300      -1.501000      0.7719000    
 H   -2.294300      -4.208000       1.374400    
 H   0.8422000      -1.740900       3.007000    
 H   -2.108500      -2.347800       3.887100    
 H   -1.883000      -4.111400       3.811300    
 H  -0.6065000      -3.097400       4.477100    
 H    2.551200      0.9476000       1.678100    
 H    5.281700       2.219100      -1.405900    
 H    4.332500     -0.4011000       2.699300    
 H    7.075400      0.8673000     -0.3558000    
 H    6.601200     -0.4441000       1.696200    


%chk=000076197-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076197

0 1
S 0.315624 -2.485633 -1.335768
O 1.987000 2.163757 1.080169
O -3.287668 -0.522498 -1.590581
O -2.304766 4.678553 0.057885
O -0.490416 -3.497533 -2.312849
O 1.688882 -1.736941 -1.805196
N -0.988455 -1.251264 -0.858917
N 0.106053 4.026075 0.793512
C -1.740053 1.059085 -0.612961
C -1.481343 2.413171 -0.176095
C -0.719950 0.053513 -0.462906
C -4.052422 1.748217 -1.378483
C -3.024287 0.695601 -1.208218
C -3.804838 3.082161 -0.940675
C -0.206789 2.761944 0.375822
C -2.506053 3.455123 -0.321407
C 0.536880 0.409698 0.119525
C 0.788572 1.719179 0.497086
C -5.298773 1.421307 -1.972481
C -4.809234 4.070373 -1.102155
C 0.689787 -3.377373 0.285463
C -6.287605 2.409660 -2.131429
C -6.042349 3.738484 -1.693882
C -0.240931 -4.324067 0.745024
C 1.896057 -3.093800 0.941529
C 1.255426 -4.742062 2.663220
C 0.054956 -5.001720 1.945852
C 2.167542 -3.788471 2.142695
C 3.184819 1.385089 1.034957
C 1.553105 -5.485502 3.952234
C 3.951292 1.374295 2.218585
C 3.630136 0.747998 -0.145152
C 5.193349 0.701093 2.224007
C 4.870728 0.071625 -0.119286
C 5.654428 0.044501 1.058527
H 1.310079 -0.347561 0.245433
H -1.940017 -1.368480 -1.331184
H -5.459877 0.389068 -2.297341
H -4.591311 5.085252 -0.756197
H 1.033381 4.209843 1.172388
H -0.640166 4.735225 0.689103
H -7.247667 2.154769 -2.592923
H -6.814370 4.505559 -1.818048
H -1.153837 -4.533318 0.178616
H 2.611661 -2.380461 0.518040
H -0.654152 -5.744333 2.329736
H 3.103686 -3.587271 2.675097
H 0.752481 -5.327319 4.698317
H 1.621525 -6.575328 3.776686
H 2.504576 -5.155779 4.401777
H 3.572403 1.887192 3.107605
H 3.034949 0.768640 -1.062459
H 5.797128 0.690543 3.137803
H 5.220236 -0.428890 -1.028182
H 6.616884 -0.477688 1.065681


