%chk=000148172.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148172

0 1
 S    2.161800       1.999900     -0.5205000    
 O   -4.517200      0.8968000      0.5252000    
 O   -3.067600      -2.188300     -0.4315000    
 N   -3.440700      5.3700000E-02  0.1335000    
 C   -2.130700      0.5086000     -1.9300001E-02
 C   0.4887000       1.418700     -0.3253000    
 C   -1.284300     -0.1013000     -0.9448000    
 C   -1.667600       1.573800      0.7533000    
 C   2.5500000E-02  0.3535000      -1.097800    
 C  -0.3579000       2.028800      0.6004000    
 C    3.092300      0.5312000     -0.1077000    
 C    2.953000     -4.5899998E-02   1.152100    
 C    3.952700     -3.0900000E-02  -1.047300    
 C   -3.821200      -1.278700     -8.4700003E-02
 C    3.679200      -1.192400       1.474400    
 C    4.678700      -1.177600     -0.7250000    
 C    4.542000      -1.758300      0.5359000    
 C   -5.286600      -1.591400      0.1291000    
 H   -1.610500     -0.8904000      -1.613800    
 H   -2.311300       2.058600       1.482800    
 H   0.6616000     -0.1244000      -1.838900    
 H  -1.4100000E-02   2.859100       1.212400    
 H    2.291400      0.3812000       1.901600    
 H    4.071300      0.4076000      -2.034900    
 H    3.573900      -1.643900       2.456600    
 H    5.350400      -1.618500      -1.455800    
 H    5.107500      -2.650900      0.7869000    
 H   -5.572200      -1.368500       1.160800    
 H   -5.899800      -1.010000     -0.5649000    
 H   -5.466000      -2.654600     -5.7300001E-02
 H   -4.737200       1.298300     -0.3330000    


%chk=000148172-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148172

0 1
S 2.143887 1.875926 -0.718884
O -4.457265 0.980113 0.738579
O -3.529919 -2.253360 -0.534426
N -3.611466 -0.010060 0.088571
C -2.239614 0.377913 -0.076868
C 0.443018 1.233085 -0.428576
C -1.330370 -0.416490 -0.833755
C -1.793351 1.594231 0.504615
C -0.004398 0.023505 -1.009817
C -0.457220 2.012015 0.332026
C 3.206846 0.450779 -0.213712
C 2.842508 -0.434189 0.827653
C 4.452427 0.307286 -0.871284
C -4.200384 -1.282916 -0.078508
C 3.725137 -1.472713 1.200715
C 5.336170 -0.723856 -0.478401
C 4.975186 -1.619919 0.554470
C -5.666727 -1.388794 0.308275
H -1.663767 -1.360526 -1.264949
H -2.475711 2.186675 1.118340
H 0.686334 -0.584946 -1.602645
H -0.113175 2.938110 0.803681
H 1.881572 -0.317325 1.339068
H 4.724212 0.987600 -1.685841
H 3.436429 -2.160246 2.003611
H 6.299578 -0.830658 -0.989399
H 5.657811 -2.423900 0.850227
H -5.821526 -1.118989 1.366488
H -6.297859 -0.711910 -0.294918
H -5.981604 -2.428317 0.134606
H -4.721657 1.615674 0.013558


