%chk=000096914.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096914

0 1
 S    2.179000       2.091800     -0.7411000    
 P   0.4335000       1.458900      0.2593000    
 O  -0.7206000       1.231600     -0.8647000    
 O   1.7200001E-02   2.513600       1.252800    
 N   0.9220000     -3.4899998E-02  0.7625000    
 C    2.209800     -0.4217000      0.3775000    
 C    2.960000      0.5154000     -0.3730000    
 C   4.4700000E-02 -0.8943000       1.523300    
 C    2.796800      -1.653400      0.6805000    
 C    4.254700      0.2268000     -0.8052000    
 C   -1.890700      0.5712000     -0.6048000    
 C    4.094100      -1.943000      0.2473000    
 C    4.819300      -1.007500     -0.4917000    
 C   -2.751800       1.054600      0.3750000    
 C   -2.209100     -0.5780000      -1.321100    
 C   -4.269100     -0.7712000     -7.3500000E-02
 C   -3.944200      0.3815000      0.6414000    
 C   -3.401500      -1.251000      -1.054800    
 C   -5.544100      -1.490500      0.2102000    
 H  -0.3101000      -1.730200      0.9126000    
 H  -0.8217000     -0.3445000       1.899600    
 H   0.5536000      -1.294500       2.407000    
 H    2.262600      -2.409100       1.249500    
 H    4.829300      0.9471000      -1.380600    
 H    4.540500      -2.904100      0.4872000    
 H    5.826500      -1.242900     -0.8232000    
 H   -2.520500       1.957800      0.9304000    
 H   -1.535200     -0.9555000      -2.084900    
 H   -4.614000      0.7678000       1.405000    
 H   -3.644100      -2.147300      -1.619600    
 H   -5.840800      -1.370800       1.257800    
 H   -6.344400      -1.102300     -0.4275000    
 H   -5.440200      -2.565500      2.8000001E-02


%chk=000096914-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096914

0 1
S 2.090577 2.087051 -0.739842
P 0.379657 1.365187 0.565020
O -0.670744 0.829164 -0.746940
O -0.357064 2.224317 1.686062
N 1.255534 -0.024299 1.185982
C 2.440904 -0.403421 0.515139
C 2.978616 0.498465 -0.452119
C 0.759831 -0.747013 2.370442
C 3.121499 -1.619975 0.771345
C 4.164106 0.194515 -1.146085
C -1.991774 0.321271 -0.538078
C 4.316801 -1.917143 0.081548
C 4.839384 -1.019094 -0.875530
C -2.915916 0.914928 0.350759
C -2.353427 -0.789813 -1.329911
C -4.618393 -0.736708 -0.351374
C -4.217178 0.371691 0.437665
C -3.663797 -1.305225 -1.234913
C -6.035427 -1.279696 -0.277765
H 0.366258 -1.745393 2.102064
H -0.045763 -0.157572 2.838666
H 1.575036 -0.861249 3.107725
H 2.718126 -2.329122 1.500245
H 4.562248 0.893607 -1.888630
H 4.836014 -2.858749 0.289616
H 5.763019 -1.256007 -1.412687
H -2.620910 1.776089 0.958252
H -1.613693 -1.224642 -2.008899
H -4.935868 0.828414 1.128820
H -3.945824 -2.164312 -1.855577
H -6.479473 -1.122143 0.720854
H -6.693389 -0.775823 -1.012518
H -6.067471 -2.361402 -0.498136


