%chk=000059173.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059173

0 1
 S   -1.102600      -1.401500       1.526300    
 O    1.576800      -1.298400      1.5799999E-02
 O    2.381000      -1.068400      -2.129000    
 N    4.111700       1.412900       1.591700    
 C   -4.609000     -8.8299997E-02 -0.2474000    
 C   -5.608100      0.9927000      0.1715000    
 C   -3.450300     -0.1893000      0.7497000    
 C   -6.799700       1.118300     -0.7802000    
 C   -2.477000      -1.292900      0.3447000    
 C   -7.831100       2.141700     -0.3307000    
 C  -0.1963000      -2.759000      0.7503000    
 C   0.6372000      -2.270300     -0.4240000    
 C    2.390600     -0.7765000     -0.9432000    
 C    3.322000      0.2206000     -0.3576000    
 C    4.250600      0.8862000      -1.150100    
 C    3.293200      0.5171000      0.9956000    
 C    5.109900       1.814800     -0.5732000    
 C    5.001200       2.040100      0.7896000    
 H   -5.123500      -1.054600     -0.3132000    
 H   -4.219100      0.1402000      -1.246600    
 H   -5.094200       1.960000      0.2326000    
 H   -5.979400      0.7677000       1.179200    
 H   -2.930000      0.7758000      0.7951000    
 H   -3.852200     -0.3927000       1.750500    
 H   -6.438800       1.391100      -1.779000    
 H   -7.292200      0.1432000     -0.8760000    
 H   -2.082700      -1.082200     -0.6539000    
 H   -2.997000      -2.256200      0.3160000    
 H   -7.384500       3.138300     -0.2564000    
 H   -8.243600       1.876300      0.6478000    
 H   -8.656800       2.190100      -1.047400    
 H   0.4687000      -3.170500       1.517100    
 H  -0.8835000      -3.553900      0.4449000    
 H    1.182500      -3.123900     -0.8448000    
 H   4.6000001E-03  -1.849700      -1.213900    
 H    4.319100      0.6945000      -2.217300    
 H    2.601400      4.5299999E-02   1.685900    
 H    5.841700       2.345600      -1.171400    
 H    5.648200       2.754600       1.287800    


%chk=000059173-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059173

0 1
S -1.140228 -1.191901 1.485488
O 1.799143 -1.280559 0.037091
O 2.416612 -0.778532 -2.154664
N 4.689063 1.193757 1.692841
C -4.887187 -0.129562 -0.202157
C -5.901358 0.981306 0.154845
C -3.631975 -0.117088 0.703156
C -7.160461 0.961536 -0.741643
C -2.633075 -1.218481 0.309908
C -8.168997 2.075763 -0.387340
C -0.131081 -2.584582 0.702188
C 0.711367 -2.147884 -0.490516
C 2.583866 -0.635696 -0.917243
C 3.629258 0.224131 -0.291532
C 4.556286 0.887821 -1.134700
C 3.733182 0.411445 1.112776
C 5.547629 1.699434 -0.548063
C 5.577314 1.819876 0.862099
H -5.386485 -1.118114 -0.126227
H -4.578773 -0.014654 -1.262371
H -5.407498 1.971676 0.070599
H -6.206729 0.874745 1.216634
H -3.136414 0.871619 0.637720
H -3.937139 -0.253120 1.759742
H -6.853176 1.062759 -1.802677
H -7.654429 -0.027811 -0.653959
H -2.267856 -1.060016 -0.721226
H -3.100144 -2.218167 0.378591
H -7.708793 3.076006 -0.496284
H -8.515156 1.979238 0.659154
H -9.059151 2.040395 -1.042005
H 0.511086 -2.982719 1.505031
H -0.833736 -3.379001 0.392879
H 1.179533 -3.015563 -0.995231
H 0.131088 -1.582242 -1.241091
H 4.480003 0.754113 -2.218657
H 3.025331 -0.077585 1.788147
H 6.283089 2.228181 -1.161753
H 6.334793 2.438275 1.357253


