%chk=000158999.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158999

0 1
 S  -0.8100000     -0.8147000      -1.772200    
 O   -4.677600       1.205200     -0.2993000    
 O   -3.899600      0.2794000       1.633000    
 N   -1.447000     -1.0100000E-02  0.6719000    
 C    2.129200      0.3220000     -0.1423000    
 C    2.058700      -1.076500      0.3744000    
 C    2.602800     -0.8165000      -1.005800    
 C   0.6122000      -1.399400      0.6694000    
 C   0.7348000      0.8872000     -0.2005000    
 C  -0.2289000     -0.3268000     -8.9199997E-02
 C    3.175900       1.238200      0.3947000    
 C   0.2782000      -2.861800      0.4100000    
 C    4.173800      0.4974000       1.304100    
 C    3.948600       1.948500     -0.7324000    
 C   -2.416300      0.5881000     -0.2442000    
 C   -2.517700     -0.3201000      -1.457700    
 C   -3.716900      0.6598000      0.4861000    
 H    2.734000      -1.517000       1.089500    
 H    3.664100     -0.9786000      -1.156800    
 H    2.023900      -1.109100      -1.870200    
 H   0.4885000      -1.228300       1.749400    
 H   0.5838000       1.556600      0.6565000    
 H   0.5813000       1.489600      -1.103000    
 H    2.708900       2.017100       1.010700    
 H  -0.7826000      -3.062800      0.5896000    
 H   0.5285000      -3.168000     -0.6108000    
 H   0.8590000      -3.505700       1.080300    
 H   -1.241600      0.6203000       1.445400    
 H    3.680400      9.0000004E-02   2.193000    
 H    4.931500       1.200700       1.670100    
 H    4.711600     -0.3049000      0.7893000    
 H    3.257500       2.476600      -1.398200    
 H    4.646600       2.683500     -0.3179000    
 H    4.524900       1.243500      -1.340200    
 H   -2.107400       1.606400     -0.5128000    
 H   -3.123900      -1.212300      -1.266900    
 H   -2.930500      0.2018000      -2.326100    
 H   -5.541300       1.259500      0.1624000    


%chk=000158999-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158999

0 1
S -0.698872 -1.043369 -1.799664
O -4.453828 1.785320 -0.330803
O -4.224355 0.010654 1.154693
N -1.449131 -0.010950 0.653109
C 2.228110 0.233876 0.060805
C 2.058754 -1.177096 0.654134
C 2.551826 -1.004383 -0.796117
C 0.573538 -1.459569 0.898403
C 0.809950 0.807191 -0.122397
C -0.184467 -0.381489 0.056671
C 3.314679 1.239437 0.476181
C 0.142911 -2.923767 0.686056
C 4.644640 0.587510 0.919703
C 3.571261 2.263057 -0.660478
C -2.345131 0.623660 -0.321240
C -2.402286 -0.256533 -1.633956
C -3.737214 0.752339 0.273362
H 2.768051 -1.577333 1.385220
H 3.606506 -1.232611 -0.979631
H 1.894986 -1.265869 -1.631780
H 0.364876 -1.185424 1.957311
H 0.608299 1.535869 0.689663
H 0.672802 1.316568 -1.090613
H 2.913708 1.798964 1.350325
H -0.950756 -3.050117 0.796309
H 0.416280 -3.274713 -0.322864
H 0.636452 -3.574330 1.431719
H -1.921685 -0.783735 1.147362
H 4.497981 -0.120135 1.755616
H 5.353692 1.365135 1.258731
H 5.127561 0.042421 0.087074
H 2.648255 2.804094 -0.936872
H 4.324312 3.012534 -0.353566
H 3.946289 1.749468 -1.565744
H -1.965042 1.623202 -0.590297
H -3.160129 -1.053472 -1.546723
H -2.607954 0.367075 -2.517159
H -5.377466 1.815320 0.040755


