%chk=000051003.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051003

0 1
 S    1.405000     -0.8332000      -1.152600    
 O   -4.137800      0.1501000      0.7205000    
 N    4.640500      0.6663000      0.7875000    
 N    6.023100      0.5450000      0.4575000    
 C    2.379400      6.6299997E-02  8.6900003E-02
 C    3.867300     -6.0100000E-02 -0.2154000    
 C  -0.2596000     -0.5378000     -0.5892000    
 C  -0.9645000      0.5742000      -1.049800    
 C  -0.8580000      -1.418700      0.3117000    
 C   -2.866000     -7.5400002E-02  0.2914000    
 C   -2.267700      0.8055000     -0.6094000    
 C   -2.161200      -1.187500      0.7520000    
 C   -4.800400       1.305500      0.2089000    
 H    2.074600       1.118800      7.7799998E-02
 H    2.154900     -0.3430000       1.078300    
 H    4.156100      -1.119600     -0.2074000    
 H    4.076100      0.3411000      -1.216400    
 H  -0.5135000       1.271400      -1.751900    
 H  -0.3242000      -2.290500      0.6820000    
 H   -2.757300       1.688000      -1.007000    
 H   -2.622300      -1.877100       1.453900    
 H    4.378200       1.651400      0.7818000    
 H    6.217100       1.070600     -0.3945000    
 H    6.575700      0.9887000       1.189900    
 H   -4.293400       2.227700      0.5126000    
 H   -5.800200       1.328700      0.6551000    
 H   -4.936100       1.244200     -0.8762000    


%chk=000051003-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051003

0 1
S 1.428912 -0.663816 -1.376574
O -4.167645 0.116816 0.854886
N 4.749747 0.730180 0.683177
N 6.132118 0.401740 0.679195
C 2.457676 0.190390 -0.014983
C 3.950792 -0.019173 -0.315075
C -0.262780 -0.381623 -0.696846
C -1.084331 0.629969 -1.239746
C -0.766927 -1.205575 0.342161
C -2.887789 0.010520 0.290076
C -2.398821 0.832022 -0.756347
C -2.068159 -1.009424 0.839133
C -5.060279 1.147429 0.320094
H 2.183448 1.260760 -0.016212
H 2.190431 -0.252167 0.957408
H 4.220499 -1.083226 -0.212209
H 4.170372 0.279653 -1.369488
H -0.697283 1.260870 -2.046669
H -0.140188 -2.005071 0.751292
H -3.016843 1.620087 -1.196921
H -2.473030 -1.634925 1.640355
H 4.555985 1.744986 0.650486
H 6.741064 0.862958 -0.007007
H 6.526062 0.275654 1.611124
H -4.637374 2.160852 0.464270
H -5.991174 1.048890 0.897371
H -5.268683 0.981824 -0.754949


