%chk=000112826.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112826

0 1
 S   0.2676000      -1.540600     -0.3257000    
 O  -0.9145000     -0.5078000      0.1239000    
 O   -3.451300      0.9425000      -1.634000    
 O   -2.877900       2.350500     -3.9400000E-02
 O   0.1467000      -1.811700      -1.744900    
 O   0.3171000      -2.614100      0.6490000    
 N   -3.181800       1.229600     -0.4624000    
 C   -3.249700      0.1288000      0.5379000    
 C   -2.265100     -0.9558000      8.7800004E-02
 C   -4.686400     -0.3920000      0.5185000    
 C   -2.899600      0.7384000       1.893700    
 C    1.750700     -0.6025000     -0.1355000    
 C    2.417900     -0.6272000       1.078300    
 C    2.223900      0.1416000      -1.203900    
 C    4.080400      0.8671000      0.1615000    
 C    3.590800      0.1127000       1.227900    
 C    3.396900      0.8816000      -1.054200    
 C    5.334200       1.658900      0.3214000    
 H   -2.351900      -1.817600      0.7614000    
 H   -2.492400      -1.314500     -0.9238000    
 H   -4.956900     -0.8305000     -0.4494000    
 H   -5.408400      0.4059000      0.7302000    
 H   -4.824200      -1.171500       1.276800    
 H   -3.615400       1.510000       2.203600    
 H   -2.922200     -3.7999999E-02   2.668100    
 H   -1.894000       1.175700       1.919700    
 H    2.049700      -1.201700       1.922600    
 H    1.703300      0.1737000      -2.156000    
 H    4.114400      9.3599997E-02   2.180100    
 H    3.768100       1.465700      -1.892100    
 H    5.316200       2.557800     -0.3042000    
 H    5.462000       1.992200       1.356900    
 H    6.200100       1.052000      3.8899999E-02


%chk=000112826-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112826

0 1
S 0.174921 -1.820936 -0.521162
O -1.094456 -0.468793 -0.901626
O -3.940691 1.512870 -1.299541
O -2.692395 2.605249 0.256661
O 0.417670 -2.690908 -1.859997
O -0.316370 -2.545870 0.850420
N -3.222982 1.545397 -0.231324
C -3.025945 0.177159 0.524481
C -2.467773 -0.826113 -0.516372
C -4.443966 -0.276325 0.947826
C -2.085370 0.384559 1.715649
C 1.637656 -0.705113 -0.201384
C 1.878419 -0.288538 1.117216
C 2.438746 -0.342871 -1.296231
C 3.839444 0.949231 0.273003
C 2.995288 0.544940 1.341586
C 3.545492 0.494229 -1.040901
C 5.049072 1.826971 0.530840
H -2.494406 -1.833313 -0.053495
H -3.083568 -0.813501 -1.432346
H -5.092810 -0.426466 0.068884
H -4.912178 0.475533 1.606373
H -4.369255 -1.224207 1.508586
H -2.542184 1.044187 2.470866
H -1.874221 -0.599443 2.170745
H -1.134546 0.835931 1.392392
H 1.231667 -0.616723 1.936904
H 2.211060 -0.706256 -2.302932
H 3.210874 0.886191 2.360026
H 4.187182 0.799647 -1.874925
H 5.211806 2.544101 -0.292525
H 4.945359 2.398398 1.468659
H 5.966762 1.213579 0.616345


