%chk=000108215.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108215

0 1
 S   -3.152200     -0.6416000       1.070000    
 O   -2.518900      0.4145000     -6.8999999E-03
 O   -2.175000       1.890700      -2.281300    
 O  -0.3935000      0.5414000      -2.964700    
 O    4.134100      -2.584500     -4.4000000E-02
 O   -4.333800      0.2168000       1.797000    
 O   -3.786600      -1.708100      0.3179000    
 O   -2.147100     -0.9525000       2.069300    
 N  -0.2995000     -0.3750000     -0.2241000    
 N    2.674500       1.516200      0.3107000    
 N   0.6377000       1.432300       1.323100    
 N    1.480400      -1.959200     -1.9600000E-02
 N  -0.7016000      -2.675900     -0.2132000    
 N    2.451200       2.610900       2.359200    
 C   0.5447000      0.8119000     -4.7400001E-02
 C    2.001000      0.4809000     -0.4428000    
 C  -0.1147000       1.892700     -0.9564000    
 C   -1.073700       1.112600      -1.850700    
 C   -1.534500     -2.5500000E-02 -0.9346000    
 C    2.465200     -0.8821000      0.1106000    
 C   0.2232000      -1.658800     -0.1426000    
 C    1.875100       1.882300       1.362300    
 C    3.744000      -1.339800     -0.5919000    
 H    2.170400      0.5685000      -1.521300    
 H  -0.6767000       2.620500     -0.3560000    
 H   0.6259000       2.458200      -1.532700    
 H   -1.938600     -0.8444000      -1.540800    
 H    2.689200     -0.8104000       1.184200    
 H    3.678600       1.648600      0.2828000    
 H    4.555400     -0.6199000     -0.4454000    
 H    3.576700      -1.475400      -1.665900    
 H   -1.847600       2.784200      -2.479600    
 H   0.2301000       1.203500      -3.306800    
 H   -1.699000      -2.512100     -0.2637000    
 H  -0.4035000      -3.644600     -0.1690000    
 H    1.923300       2.894000       3.177400    
 H    3.420700       2.903700       2.306700    
 H    4.946600      -2.858100     -0.5027000    
 H   -4.075100       1.120000       2.096400    


%chk=000108215-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000108215

0 1
S -4.003885 -0.602187 0.506821
O -2.258799 0.086292 0.789049
O -2.499387 1.854911 -1.288145
O -0.910525 0.691588 -2.544042
O 4.131848 -2.695360 -0.964011
O -4.244564 -0.161526 -1.226031
O -3.924227 -2.203883 0.569359
O -4.963800 0.237939 1.473467
N 0.003198 -0.332476 0.172247
N 3.020977 1.698856 0.091199
N 1.209077 1.415856 1.523275
N 1.863402 -1.845990 0.289710
N -0.328012 -2.612208 0.677699
N 3.128644 2.568698 2.353297
C 0.831783 0.891909 0.173557
C 2.208767 0.620490 -0.536048
C -0.088193 1.941525 -0.534561
C -1.206412 1.130734 -1.213413
C -1.310264 -0.163158 -0.354215
C 2.794194 -0.791746 -0.165404
C 0.579194 -1.606927 0.394929
C 2.439583 1.891280 1.373905
C 3.590658 -1.399345 -1.351089
H 2.127373 0.752077 -1.628911
H -0.499247 2.580930 0.266447
H 0.472597 2.570443 -1.244849
H -1.659181 -1.024105 -0.951341
H 3.509916 -0.642408 0.670468
H 4.039810 1.662448 -0.013987
H 4.453845 -0.764466 -1.625063
H 2.915626 -1.491511 -2.231565
H -2.610014 2.423521 -0.483456
H -0.842392 1.478072 -3.143827
H -1.256250 -2.409956 1.049098
H 0.032354 -3.561372 0.739601
H 2.663303 2.717444 3.244617
H 4.064988 2.932934 2.208798
H 3.406803 -3.115333 -0.417789
H -3.706390 0.712511 -1.386293


