%chk=000089493.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089493

0 1
 S  -0.3092000       3.575500     -3.5900000E-02
 O  -2.4499999E-02  -1.880100      -1.970100    
 O   -2.946700     -0.8453000       1.611000    
 O   -4.135500      0.3372000      9.3999997E-02
 N  -0.8137000      -1.101300      6.7599997E-02
 C    1.967500      -1.715300      0.9102000    
 C   -1.861500     -0.2694000     -0.4745000    
 C    2.819800     -0.7778000      4.9500000E-02
 C    1.059700      -2.611800      6.9799997E-02
 C   -1.339600       1.138100     -0.7948000    
 C    3.696400      0.1260000      0.9167000    
 C   2.8600000E-02  -1.847600     -0.7436000    
 C  -0.9014000       1.925600      0.4421000    
 C   -3.098300     -0.2355000      0.4109000    
 C    4.524600       1.078500      6.9200002E-02
 C    1.333800       3.103400     -0.6221000    
 H   -2.189500     -0.7368000      -1.412100    
 H    2.629500      -2.353900       1.507900    
 H    1.379400      -1.125000       1.622000    
 H    3.451000      -1.369100     -0.6248000    
 H    2.173000     -0.1532000     -0.5778000    
 H   0.5229000      -3.308700      0.7246000    
 H    1.659900      -3.216500     -0.6200000    
 H   -2.133100       1.693900      -1.312100    
 H  -0.5067000       1.043800      -1.501700    
 H  -0.7148000      -1.146800       1.077200    
 H    3.065400      0.7102000       1.596700    
 H    4.365000     -0.4824000       1.536700    
 H  -0.1200000       1.403200       1.003100    
 H   -1.749700       2.069300       1.118800    
 H    3.896700       1.681500     -0.5915000    
 H    5.097300       1.756000      0.7101000    
 H    5.233300      0.5238000     -0.5544000    
 H   -3.756200     -0.7788000       2.161100    
 H    1.877100       4.003700     -0.9221000    
 H    1.276200       2.437200      -1.485300    
 H    1.888200       2.623000      0.1864000    


%chk=000089493-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089493

0 1
S -0.405705 3.632031 0.046838
O 0.166794 -1.434790 -1.878138
O -3.130288 -0.890219 1.588430
O -4.356931 0.254402 -0.019650
N -0.976088 -1.155289 0.119566
C 2.078322 -1.663283 0.950938
C -2.010403 -0.318683 -0.502502
C 2.979136 -0.777823 0.060800
C 1.066849 -2.530147 0.146188
C -1.525287 1.140005 -0.807344
C 3.948326 0.104514 0.879544
C 0.061904 -1.681510 -0.634869
C -1.123689 1.928212 0.448752
C -3.285853 -0.279791 0.328616
C 4.867545 0.969057 -0.010141
C 1.291268 3.115020 -0.587357
H -2.268544 -0.762783 -1.484851
H 2.715574 -2.341918 1.552553
H 1.529924 -1.025347 1.674866
H 3.560693 -1.425020 -0.627246
H 2.351639 -0.134536 -0.587868
H 0.534373 -3.213441 0.836753
H 1.611971 -3.146535 -0.589418
H -2.334194 1.668771 -1.342147
H -0.671266 1.038865 -1.499020
H -1.092547 -1.408433 1.102683
H 3.362488 0.760945 1.556872
H 4.568010 -0.540429 1.535834
H -0.374060 1.382480 1.049450
H -1.995509 2.147052 1.090749
H 4.273858 1.638025 -0.662190
H 5.543190 1.599865 0.596144
H 5.493240 0.335683 -0.666474
H -3.982864 -0.825966 2.097155
H 1.847103 4.048473 -0.768045
H 1.209832 2.549834 -1.528754
H 1.816091 2.517310 0.176084


