%chk=000163564.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163564

0 1
 S    2.718700       1.107500      8.1699997E-02
 S  -0.2403000       1.368400      1.7300000E-02
 O   -3.268900       1.860200       1.272800    
 O   -3.225400      -2.203400      1.9200001E-02
 O    2.878300       1.873200      -1.161300    
 O    2.821600       1.837900       1.351600    
 N   -2.526900      6.8999998E-02 -5.2299999E-02
 N   -4.739600     -0.4178000     -0.2795000    
 N    3.927300     -0.1499000      9.1399997E-02
 N  -0.4596000      -1.184000     -2.3600001E-02
 N   0.8998000     -0.9264000      1.1800000E-02
 C   -3.238100       1.341600     -5.0999999E-02
 C   -4.646900       1.004300     -0.5108000    
 C   -3.469600      -1.007500     -8.7600000E-02
 C   -1.168300     -7.4299999E-02 -2.4200000E-02
 C    3.881600      -1.104100       1.228200    
 C    4.180700     -0.8358000      -1.200900    
 C   -5.985400      -1.152200     -0.2479000    
 C    1.150800      0.3651000      3.5700001E-02
 C    5.262500      -1.658500       1.535500    
 C    5.247500     -0.1132000      -2.006000    
 H   -2.788500       2.078400     -0.7247000    
 H   -5.428100       1.529700      4.5800000E-02
 H   -4.772600       1.164100      -1.586500    
 H    3.515400     -0.5929000       2.124800    
 H    3.191000      -1.925600       1.009700    
 H    4.485000      -1.877100      -1.058800    
 H    3.252200     -0.8833000      -1.781800    
 H   -6.613200     -0.7430000      0.5479000    
 H   -5.803500      -2.213300     -5.9799999E-02
 H   -6.486900      -1.031600      -1.211500    
 H   -3.779300       2.687600       1.249800    
 H    5.659000      -2.272400      0.7222000    
 H    5.975200     -0.8472000       1.718300    
 H    5.224000      -2.285100       2.432400    
 H    4.957300      0.9113000      -2.251500    
 H    6.187800     -6.7000002E-02  -1.446500    
 H    5.435800     -0.6430000      -2.945200    


%chk=000163564-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163564

0 1
S 2.909602 1.472673 0.125108
S -0.327005 1.520251 0.750303
O -3.526732 2.146054 1.042047
O -2.904824 -2.151008 0.129829
O 3.231267 2.400187 -1.164169
O 2.934346 2.068702 1.631506
N -2.658592 0.224773 -0.236708
N -4.733031 -0.657119 -0.118149
N 4.045097 -0.003052 0.061322
N -0.515777 -0.470305 -1.087719
N 0.855659 -0.189979 -0.936544
C -3.546211 1.409007 -0.217386
C -4.954593 0.774269 -0.355359
C -3.398238 -1.018887 -0.055381
C -1.288808 0.304869 -0.315914
C 3.663230 -0.996679 1.109638
C 4.258382 -0.498807 -1.336152
C -5.819209 -1.618453 0.045158
C 1.101571 0.791775 -0.089771
C 4.865423 -1.894912 1.458286
C 5.762058 -0.576210 -1.663064
H -3.279601 2.075682 -1.058367
H -5.617217 1.216581 0.408802
H -5.383933 0.956291 -1.359105
H 3.364631 -0.427247 2.008719
H 2.803398 -1.618695 0.777973
H 3.752579 -1.476739 -1.462721
H 3.782260 0.209931 -2.038491
H -6.444543 -1.367748 0.922707
H -5.372841 -2.614426 0.197250
H -6.462426 -1.649470 -0.854811
H -2.779768 2.798753 1.060111
H 5.163458 -2.529653 0.606367
H 5.730451 -1.283914 1.766201
H 4.585815 -2.561053 2.294676
H 6.220903 0.423165 -1.578800
H 6.297381 -1.259573 -0.983333
H 5.896240 -0.939337 -2.699359


