%chk=000105122.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105122

0 1
 S   -2.779300      0.1059000     -0.5833000    
 S    3.835700      -3.640100      0.2042000    
 F    1.309600      -4.240800      0.5305000    
 F    1.706700      -2.118200      0.2036000    
 F    1.831800      -3.521600      -1.461100    
 O    1.432700       1.328700      -1.937400    
 O    4.587800       2.131800     -0.2209000    
 O    2.896300      0.9411000       2.231800    
 O   3.3700000E-02   2.547600       2.679500    
 O   -1.045300      0.5653000       2.309800    
 O    4.927700     -0.8358000      0.9986000    
 O   -6.569100      -2.201900       1.423200    
 N    1.535600       1.614400      0.4358000    
 N    3.678500     -6.2899999E-02 -0.7983000    
 N   -5.486600     -0.4623000     -0.6254000    
 N   -5.071200       1.665800     -0.5823000    
 N   -6.688200      0.1315000     -0.6279000    
 N   -6.427900       1.432800     -0.6010000    
 C    2.142300       1.925400     -0.8413000    
 C    3.426200       1.281500     -0.2687000    
 C    2.654800       1.256000       1.090500    
 C   0.1904000       1.625000      0.5777000    
 C  -0.5885000       1.693000     -0.5274000    
 C   3.0300001E-02   1.657300      -1.932500    
 C   -2.090900       1.770900     -0.5442000    
 C  -0.3530000       1.492400       1.933500    
 C    4.418200      -1.016200     -0.1064000    
 C    5.082100       2.562900      -1.480500    
 C    4.532300      -2.333800     -0.8346000    
 C   -4.508100      0.4795000     -0.5974000    
 C   -5.384400      -1.899500     -0.6514000    
 C    2.097500      -3.368100     -0.1415000    
 C   -5.357900      -2.507700      0.7444000    
 H    2.226800       3.010800     -0.9897000    
 H    3.304200     -0.3161000      -1.709500    
 H  -0.4672000      0.9018000      -2.548500    
 H  -9.2100002E-02   2.632300      -2.417000    
 H   -2.432800       2.348100      -1.410700    
 H   -2.455400       2.293800      0.3472000    
 H    5.995800       3.138900      -1.311200    
 H    4.355300       3.206800      -1.982500    
 H    5.324900       1.705600      -2.114800    
 H    4.049700      -2.318200      -1.815600    
 H    5.596700      -2.534500     -0.9934000    
 H  -0.3104000       2.496600       3.596700    
 H   -6.253800      -2.270400      -1.207900    
 H   -4.490400      -2.179700      -1.216400    
 H   -4.523200      -2.114600       1.333700    
 H   -5.263200      -3.596000      0.6788000    
 H   -6.514100      -2.612200       2.303100    


%chk=000105122-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000105122

0 1
S -3.022927 0.470616 0.938922
S 2.173775 -3.438766 -0.660998
F -0.464350 -3.237786 -0.268712
F 0.651194 -1.389135 0.400020
F 0.327031 -1.747616 -1.805357
O 1.013738 1.604596 -1.476834
O 4.482034 1.903567 -0.257954
O 2.944096 0.469088 2.236215
O 0.933175 2.376617 3.471722
O -1.314396 1.850320 3.183509
O 4.926342 -1.196444 -0.306677
O -6.349938 -2.351959 -0.030543
N 1.529283 1.935706 0.872772
N 3.082512 0.046005 -1.072322
N -3.716482 -1.432995 -1.004019
N -3.188662 0.542851 -1.890892
N -3.843786 -1.566901 -2.407908
N -3.518031 -0.371052 -2.920528
C 1.951949 2.174848 -0.523478
C 3.219701 1.251371 -0.258945
C 2.643574 1.092790 1.218293
C 0.170679 2.023711 1.248561
C -0.778649 2.088358 0.245283
C -0.375042 2.045995 -1.224538
C -2.254035 2.195019 0.492677
C -0.173211 2.057168 2.695284
C 3.850084 -1.108434 -0.954279
C 5.170049 1.982126 -1.561205
C 3.273702 -2.301996 -1.731330
C -3.323091 -0.146455 -0.722716
C -3.959048 -2.578053 -0.114767
C 0.630819 -2.409102 -0.582998
C -5.159312 -2.382459 0.818863
H 2.171393 3.233325 -0.748969
H 2.212080 0.029457 -1.624557
H -1.018910 1.338350 -1.774970
H -0.530340 3.048603 -1.679603
H -2.805458 2.531381 -0.398847
H -2.514986 2.789559 1.378217
H 6.022165 2.654614 -1.383884
H 4.514125 2.402631 -2.349322
H 5.537942 0.986113 -1.862483
H 2.694987 -2.024105 -2.626371
H 4.100526 -2.973071 -2.011352
H 0.697777 2.323099 4.436764
H -4.143723 -3.442160 -0.772230
H -3.046326 -2.768097 0.479526
H -5.049849 -1.448775 1.410002
H -5.179551 -3.241343 1.522895
H -7.144026 -2.098279 0.501963


