%chk=000147884.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147884

0 1
 S    5.934200     -0.5302000       1.742200    
 O   -2.966700      0.9738000      0.1704000    
 O   -4.947300      -1.906000      0.1554000    
 O   -5.462700      0.2178000      0.3617000    
 N   -4.593500     -0.6910000      0.2094000    
 N    4.570400     -0.3165000     -0.6642000    
 C   -1.018300     -0.1433000     -0.1025000    
 C   0.3948000     -0.2012000     -0.2455000    
 C    1.134500       1.011100     -0.2301000    
 C   -1.616100       1.104400      4.6900000E-02
 C   -2.089500      -1.081200     -6.5399997E-02
 C   0.4680000       2.238200     -7.5599998E-02
 C  -0.9213000       2.310800      6.6200003E-02
 C    1.061000      -1.433100     -0.4007000    
 C    2.529400      0.9491000     -0.3715000    
 C   -3.243600     -0.3529000      0.1014000    
 C    3.179000     -0.2780000     -0.5246000    
 C    2.447800      -1.464100     -0.5392000    
 C    5.139800     -0.4077000      0.3656000    
 H   -2.021200      -2.157100     -0.1504000    
 H    1.034200       3.168500     -6.3600004E-02
 H   -1.428900       3.260900      0.1851000    
 H   0.5116000      -2.370900     -0.4155000    
 H    3.116300       1.866600     -0.3649000    
 H    2.948500      -2.421500     -0.6604000    


%chk=000147884-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147884

0 1
S 7.357943 -0.511273 -0.045189
O -3.124517 1.082098 -0.031839
O -4.958556 -2.001234 -0.169705
O -5.683326 0.181026 -0.079933
N -4.758133 -0.718528 -0.114699
N 4.525339 -0.376445 -0.055031
C -1.131963 -0.112314 -0.072713
C 0.301849 -0.230904 -0.070703
C 1.066366 0.999195 -0.014501
C -1.720483 1.179209 -0.021122
C -2.220320 -1.055593 -0.117652
C 0.395295 2.280052 0.036195
C -0.996070 2.392132 0.033737
C 0.993054 -1.478614 -0.120692
C 2.490784 0.931289 -0.009890
C -3.382809 -0.299077 -0.091234
C 3.149257 -0.312094 -0.059256
C 2.386847 -1.528146 -0.115471
C 5.732394 -0.432954 -0.050816
H -2.185511 -2.140907 -0.163222
H 1.009327 3.186184 0.077623
H -1.507564 3.356523 0.071963
H 0.422471 -2.412123 -0.164093
H 3.080723 1.852655 0.032259
H 2.918006 -2.483658 -0.153817


