%chk=000130243.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130243

0 1
 S    2.314000      -2.849100     -0.4756000    
 O   -1.123500     -0.4957000       1.138600    
 O   0.2128000       2.158300     -0.8690000    
 O   -2.014300       2.332800      0.6957000    
 O   -3.163300      -2.260900      0.3703000    
 O  -0.3182000      -2.568100     -0.3399000    
 O   -1.200500       2.686000      -2.618700    
 O   -4.290500       2.015400      0.9303000    
 O    5.357900      -2.268900     -0.3312000    
 O   -3.816900      -3.412600      -1.522700    
 N    1.032300     -0.7202000      0.2629000    
 N    2.975200      0.7625000      0.7319000    
 N    5.166100     -9.3999997E-02  0.4067000    
 N    4.796300       2.107700       1.154800    
 C  -0.5136000      0.9727000     -0.6185000    
 C   -1.951100       1.250000     -0.2323000    
 C  -6.9999998E-04  0.2186000      0.5963000    
 C   -2.334300     -2.4599999E-02  0.5073000    
 C   -2.847700      -1.123600     -0.4134000    
 C    2.388000     -0.4132000      0.3449000    
 C   0.7632000      -2.025500     -0.1732000    
 C    3.172000      -1.437800     -1.3300000E-02
 C  -0.2374000       2.934200      -1.906000    
 C   -3.253100       2.605800       1.199600    
 C    4.652500      -1.321300      1.3000000E-03
 C    4.350900      0.8766000      0.7475000    
 C   0.6242000       4.151500      -2.053300    
 C   -3.642600      -3.346700     -0.3134000    
 C   -3.166900       3.758200       2.154000    
 C   -3.930800      -4.467900      0.6384000    
 H  -0.4748000      0.3299000      -1.508500    
 H   -2.608000       1.468600      -1.079900    
 H   0.3549000      0.8969000       1.380300    
 H   -3.040800      9.8399997E-02   1.331100    
 H   -2.127400      -1.383200      -1.193300    
 H   -3.763400     -0.7727000     -0.9055000    
 H    2.376000       1.538700      0.9846000    
 H    1.654900       3.852400      -2.259600    
 H   0.5726000       4.752700      -1.142100    
 H   0.2615000       4.754100      -2.890900    
 H   -2.799800       4.645200       1.631600    
 H   -2.507300       3.500500       2.986500    
 H   -4.162300       3.975000       2.551900    
 H   -4.312500      -5.328200      8.1200004E-02
 H   -3.011500      -4.763900       1.149900    
 H   -4.689700      -4.155100       1.359900    
 H    5.787300       2.316100       1.208300    
 H    4.149900       2.845100       1.413400    


%chk=000130243-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130243

0 1
S 3.071628 -1.096550 -2.563817
O -0.072443 0.790335 0.950369
O -0.331757 3.072085 -1.647896
O -2.241298 2.892957 0.216202
O -1.356786 -1.715677 1.490784
O 1.425171 1.079197 -3.085665
O -2.097324 2.884821 -3.148564
O -4.298825 2.011444 0.865411
O 4.532377 -3.420336 -0.819661
O -2.390107 -3.540304 0.476261
N 1.373717 0.154817 -0.887837
N 1.811130 -1.068271 1.215068
N 3.434566 -2.862178 1.195892
N 2.277893 -2.323854 3.160478
C -0.628144 1.704452 -1.216694
C -1.921558 1.568423 -0.358871
C 0.538640 1.256872 -0.293199
C -1.538823 0.564996 0.745086
C -1.848722 -0.882030 0.365124
C 2.041927 -0.833639 -0.134468
C 1.814877 0.237717 -2.245877
C 2.953997 -1.602242 -0.830498
C -1.132653 3.544266 -2.707541
C -3.532592 2.995469 0.778354
C 3.705800 -2.694004 -0.197043
C 2.545102 -2.099807 1.819366
C -0.632091 4.881228 -3.188346
C -1.708469 -3.087292 1.416415
C -3.812106 4.413887 1.206570
C -1.153408 -3.840302 2.600309
H -0.727467 1.063353 -2.107592
H -2.777801 1.234170 -0.967012
H 1.191950 2.111508 -0.045432
H -2.006707 0.804183 1.711520
H -1.350806 -1.203772 -0.568200
H -2.938760 -1.021376 0.248641
H 1.018988 -0.577163 1.654154
H 0.299294 4.732369 -3.764060
H -0.393614 5.538238 -2.336123
H -1.384343 5.350323 -3.838380
H -4.122712 5.005453 0.325848
H -2.907320 4.884456 1.622519
H -4.629653 4.427360 1.942067
H -1.367434 -4.912179 2.485413
H -0.063965 -3.681195 2.684280
H -1.617334 -3.471921 3.532700
H 2.843476 -3.041554 3.609727
H 1.764088 -1.658034 3.733118


