%chk=000095003.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095003

0 1
 S   -6.325300      -1.034700      9.7400002E-02
 S    6.255600      -1.095500      1.1200000E-02
 O   -6.160900      -2.347100      0.7067000    
 O   -7.305400     -0.1037000      0.6386000    
 O    6.392700      -1.777100       1.290700    
 O    6.377700      -1.851200      -1.227600    
 N   -1.024600       1.656700     -1.6400000E-02
 N   -6.624400      -1.236000      -1.572800    
 N    7.351200      0.2148000     -3.5599999E-02
 N    1.059500       1.770300     -3.3700000E-02
 N   0.1171000      0.9495000     -4.1999999E-03
 C   -4.768900     -0.2442000      6.3600004E-02
 C    4.727000     -0.2517000     -2.3000001E-03
 C   -2.273900       1.022500      9.9999998E-03
 C   -4.694300       1.148000      1.8500000E-02
 C   -3.600000      -1.004900      8.2099997E-02
 C   -3.450800       1.779300     -8.2000000E-03
 C   -2.356500     -0.3737000      5.5399999E-02
 C    4.107000      4.9899999E-02  -1.214900    
 C    4.125200      0.1196000       1.199900    
 C    2.283400       1.094000     -2.2800000E-02
 C    2.885200      0.7229000      -1.225200    
 C    2.903300      0.7923000       1.189700    
 H   -5.591700       1.759800     -3.0000000E-03
 H   -3.634700      -2.090400      0.1105000    
 H   -3.407400       2.865100     -4.4900000E-02
 H   -1.466400     -0.9975000      6.9499999E-02
 H    4.560800     -0.2240000      -2.163200    
 H    4.593200     -9.9200003E-02   2.155600    
 H    2.411100      0.9556000      -2.175200    
 H    2.443400       1.079600       2.131800    
 H  -0.9823000       2.667900     -4.7699999E-02
 H   -6.575300      -2.188500      -1.954500    
 H   -7.355600     -0.6543000      -1.999700    
 H    7.889400      0.4168000      0.8157000    
 H    7.876700      0.3661000     -0.9053000    


%chk=000095003-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095003

0 1
S -6.526777 -0.664678 0.776422
S 6.683504 -0.751611 -0.067828
O -6.306591 -1.687147 2.025503
O -7.546181 0.606002 0.812208
O 6.564436 -2.362311 0.144894
O 7.646443 -0.055051 -1.181980
N -1.088334 1.473420 -0.825022
N -7.043740 -1.701271 -0.656038
N 7.178532 -0.051813 1.562707
N 1.110854 1.507205 -0.985384
N 0.079652 0.830104 -0.536934
C -4.841595 -0.021495 0.270119
C 4.946759 -0.077978 -0.318671
C -2.336624 0.948339 -0.445181
C -4.773308 1.205087 -0.410042
C -3.706688 -0.775155 0.615542
C -3.503811 1.693279 -0.769953
C -2.438852 -0.285798 0.254667
C 4.803353 1.137319 -1.006180
C 3.864323 -0.834729 0.165968
C 2.375737 0.899515 -0.720192
C 3.496903 1.625192 -1.205419
C 2.564760 -0.338817 -0.038329
H -5.684447 1.770786 -0.627689
H -3.815288 -1.709545 1.175138
H -3.418456 2.650138 -1.297576
H -1.532015 -0.838977 0.506968
H 5.680932 1.666065 -1.390365
H 4.041376 -1.792871 0.664933
H 3.319773 2.565596 -1.735608
H 1.694223 -0.895178 0.319401
H -1.022123 2.369300 -1.333897
H -7.165041 -2.671177 -0.319657
H -7.909986 -1.294423 -1.046747
H 7.371923 -0.841106 2.201637
H 7.997473 0.560782 1.412284


