%chk=000052997.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052997

0 1
 S    2.245600     -4.1999999E-02   1.814300    
 O    2.096800      -1.115700       2.785500    
 O    3.168200       1.051100       2.081200    
 O    1.716800       2.005000      -1.060500    
 O  -0.3916000      -1.360600      0.8997000    
 O    3.907700       2.239400     -0.4245000    
 N   0.7003000      0.6110000       1.466900    
 N   -1.516900      0.6802000      0.7542000    
 N   -3.677500       1.309300      0.1157000    
 N   -2.998200      -1.002500      8.7899998E-02
 C    2.688900     -0.7368000      0.2697000    
 C    2.994900      6.8499997E-02 -0.8273000    
 C    2.732700      -2.125800      0.1489000    
 C    3.344500     -0.5151000      -2.045000    
 C    3.082300      -2.709300      -1.068800    
 C    3.388200      -1.904000      -2.165900    
 C  -0.4352000     -0.1421000       1.017900    
 C    2.958800       1.522600     -0.7406000    
 C   -2.801600      0.3087000      0.2944000    
 C   -4.892000      0.9193000     -0.3243000    
 C   -4.233300      -1.321600     -0.3511000    
 C   -5.230100     -0.3943000     -0.5770000    
 C   -5.903200       1.994400     -0.5411000    
 C   -4.505400      -2.767400     -0.5989000    
 C    1.559200       3.427700      -1.011300    
 H    2.497600      -2.780500      0.9827000    
 H   0.6203000       1.635700       1.470900    
 H    3.584700      0.1016000      -2.907400    
 H    3.115600      -3.790800      -1.163400    
 H    3.660100      -2.358500      -3.114100    
 H   -1.392500       1.677900      0.9021000    
 H   -6.213600     -0.6790000     -0.9306000    
 H   -5.489600       2.978600     -0.2976000    
 H   -6.221700       2.012100      -1.588200    
 H   -6.777600       1.829000      9.6199997E-02
 H   -4.770600      -2.930700      -1.648300    
 H   -3.623900      -3.377300     -0.3747000    
 H   -5.326500      -3.114900      3.6100000E-02
 H    2.228600       3.907000      -1.731600    
 H    1.751900       3.793900      1.5000000E-03
 H   0.5259000       3.663700      -1.279000    


%chk=000052997-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052997

0 1
S 2.077050 0.507196 1.620637
O 1.931786 -0.432749 2.924246
O 2.926067 1.884719 1.712984
O 2.220535 2.075298 -1.023640
O -0.477521 -1.133308 0.973467
O 4.315707 1.851280 -2.028553
N 0.390553 1.052214 1.128315
N -1.884578 0.791301 0.856156
N -4.171290 1.107621 0.670723
N -3.123280 -0.836563 -0.379503
C 2.691782 -0.605376 0.182835
C 3.268268 -0.085761 -0.997821
C 2.616440 -1.975656 0.469674
C 3.828374 -1.024838 -1.905321
C 3.151895 -2.887823 -0.467354
C 3.766296 -2.409285 -1.646719
C -0.652723 0.106070 0.967653
C 3.361381 1.358672 -1.387421
C -3.105526 0.303573 0.357554
C -5.394079 0.700006 0.211730
C -4.354041 -1.247014 -0.823817
C -5.523087 -0.498169 -0.537255
C -6.571640 1.581366 0.549613
C -4.377424 -2.521159 -1.631075
C 2.302226 3.552528 -1.168114
H 2.157111 -2.308518 1.404984
H 0.420186 1.931963 0.600720
H 4.308010 -0.639018 -2.810427
H 3.094201 -3.962188 -0.267192
H 4.197401 -3.113967 -2.365070
H -1.967056 1.705828 1.308990
H -6.500789 -0.830790 -0.894084
H -6.682422 1.664736 1.645676
H -6.405538 2.604189 0.166796
H -7.509901 1.188355 0.125620
H -5.397421 -2.783543 -1.955945
H -3.729978 -2.418051 -2.520187
H -3.962647 -3.352066 -1.033110
H 2.976076 3.816492 -1.998169
H 2.682927 3.957474 -0.215802
H 1.275269 3.892762 -1.367194


