%chk=000171267.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171267

0 1
 S    2.360100      -1.975500      0.1606000    
 O  -0.2366000      -1.665800      -1.634200    
 O   0.8872000      0.4700000      -2.383000    
 N    1.205200      0.5483000     -0.2968000    
 N    1.749200      0.5028000      -1.496800    
 C    1.863200       1.465600      0.6439000    
 C   0.9467000     -0.7788000      0.3227000    
 C  -0.3505000      -1.446000     -0.2254000    
 C    3.199500      0.8501000       1.072400    
 C    2.103400       2.802500     -6.5399997E-02
 C   0.9622000       1.672400       1.867100    
 C   -1.595700     -0.6052000     -2.1100000E-02
 C   -2.329200     -0.7605000       1.140600    
 C   -1.967100      0.2959000      -1.001700    
 C    1.656900      -3.385200       1.051700    
 C   -3.475000      1.2700000E-02   1.328400    
 C   -3.112800       1.069200     -0.8140000    
 C   -3.866700      0.9275000      0.3511000    
 H   0.7771000     -0.7007000       1.396900    
 H  -0.5381000      -2.420600      0.2340000    
 H    3.832000      0.5392000      0.2336000    
 H    3.786000       1.613500       1.602900    
 H    3.098800      3.8300000E-02   1.798400    
 H    1.173200       3.214700     -0.4758000    
 H    2.838800       2.736700     -0.8759000    
 H    2.494800       3.546200      0.6398000    
 H   0.9683000      0.8458000       2.583400    
 H    1.299100       2.547700       2.437300    
 H  -7.5300001E-02   1.873400       1.574900    
 H   -2.029100      -1.468300       1.907600    
 H   -1.429300      0.4244000      -1.931300    
 H   -1.007200      -2.187700      -1.917900    
 H    1.140900      -3.065000       1.960400    
 H    2.473700      -4.051200       1.344900    
 H   0.9832000      -3.957200      0.4093000    
 H   -4.061600     -9.7099997E-02   2.235800    
 H   -3.421300       1.778100      -1.576800    
 H   -4.759200       1.528900      0.4967000    


%chk=000171267-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171267

0 1
S 2.031906 -2.649082 -0.169192
O -0.429233 -1.483597 -2.074608
O 2.245439 -0.818283 -2.316723
N 1.459113 0.120824 -0.411266
N 2.198078 0.233296 -1.592331
C 1.757323 1.280040 0.546087
C 0.834508 -1.152296 0.009000
C -0.557410 -1.465016 -0.619966
C 3.248584 1.188883 0.970573
C 1.485295 2.605613 -0.211302
C 0.854770 1.218753 1.799944
C -1.640742 -0.484949 -0.163111
C -2.430724 -0.777555 0.976423
C -1.867216 0.723122 -0.870254
C 1.936467 -3.223660 1.636621
C -3.423503 0.127775 1.415022
C -2.862080 1.627278 -0.435309
C -3.640413 1.334823 0.710033
H 0.662300 -1.078956 1.091353
H -0.816397 -2.478351 -0.238288
H 3.903700 1.296697 0.089886
H 3.488047 1.989185 1.694505
H 3.463925 0.213272 1.443738
H 0.416166 2.688919 -0.474219
H 2.081844 2.653877 -1.135245
H 1.754991 3.460311 0.435291
H 1.124191 0.387174 2.477191
H 1.001398 2.154648 2.367354
H -0.214735 1.144564 1.541297
H -2.276819 -1.720183 1.518293
H -1.261491 0.935087 -1.757863
H -1.310599 -1.727562 -2.458933
H 2.337102 -2.455306 2.318682
H 2.565919 -4.126355 1.699056
H 0.902609 -3.486900 1.915827
H -4.031629 -0.110312 2.294932
H -3.032671 2.557546 -0.988994
H -4.413213 2.035777 1.044795


