%chk=000010127.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010127

0 1
 S    1.021800      0.4327000      0.9526000    
 S    4.298100      0.7242000      -1.665200    
 O    1.211200       1.790200       1.448200    
 O    1.404200     -0.6972000       1.790600    
 O   -5.199900      -1.415200     -0.5196000    
 O   -5.389000      0.7533000     -0.8043000    
 N    1.777500      0.2961000     -0.5855000    
 N   -4.709100     -0.2603000     -0.5127000    
 N    3.715100     -0.8737000      0.2814000    
 C  -0.6582000      0.2293000      0.5224000    
 C   -1.225300      -1.045100      0.5076000    
 C   -1.433600       1.341500      0.1941000    
 C   -3.342800     -9.5299996E-02 -0.1639000    
 C   -2.567600      -1.207300      0.1644000    
 C   -2.775800       1.179200     -0.1490000    
 C    3.222700     -1.8300001E-02 -0.5701000    
 C    5.575100     -0.1712000     -0.9519000    
 C    5.075700     -0.9629000      6.0899999E-02
 H  -0.6384000      -1.925800      0.7529000    
 H   -1.010600       2.342100      0.1928000    
 H    1.559100       1.036600      -1.265300    
 H   -2.975100      -2.215100      0.1619000    
 H   -3.349100       2.068000     -0.4006000    
 H    6.595400     -7.9800002E-02  -1.295600    
 H    5.666600      -1.628900      0.6750000    


%chk=000010127-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000010127

0 1
S 1.026471 1.646991 0.912121
S 4.885603 0.572549 -0.773286
O 0.748062 3.252980 0.953910
O 1.723474 0.859182 2.150860
O -4.265648 -2.362020 -0.641012
O -5.331667 -0.350534 -0.494461
N 2.089897 1.248630 -0.817362
N -4.275852 -1.088690 -0.439786
N 2.741393 -1.021851 -0.419183
C -0.599303 0.793266 0.464451
C -0.582324 -0.593695 0.238125
C -1.747076 1.599356 0.397815
C -2.979215 -0.424620 -0.122251
C -1.810829 -1.216866 -0.063379
C -2.973286 0.969306 0.100067
C 3.030076 0.259786 -0.675377
C 5.099514 -1.176503 -0.508547
C 3.874566 -1.811427 -0.316902
H 0.357178 -1.157333 0.265023
H -1.679745 2.677283 0.574541
H 2.448385 2.182342 -1.086143
H -1.874542 -2.290537 -0.256279
H -3.908061 1.531715 0.037215
H 6.090536 -1.624417 -0.539065
H 3.760392 -2.877794 -0.119997


