%chk=000122136.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122136

0 1
 S   -2.553900       1.127200      0.1949000    
 O   -1.783600      0.1749000     -0.9014000    
 O   -1.830400      -2.359000      0.2388000    
 O   -3.937200       1.552500     -0.5604000    
 O   -2.906100      0.3256000       1.352500    
 O   -1.763600       2.333000      0.3623000    
 N    4.768200       1.822300      0.3524000    
 C    3.086900      0.2791000     -0.6007000    
 C    1.785900     -0.4155000     -0.3801000    
 C   0.5924000      0.2070000     -0.7460000    
 C    3.506400       1.133800      0.6024000    
 C    1.762400      -1.687300      0.1924000    
 C  -0.6247000     -0.4425000     -0.5393000    
 C  -0.6481000      -1.714400      3.3199999E-02
 C   0.5454000      -2.336700      0.3991000    
 H    3.866200     -0.4625000     -0.8225000    
 H    3.018100      0.9065000      -1.499700    
 H   0.6054000       1.198100      -1.192900    
 H    3.614200      0.5082000       1.495800    
 H    2.735900       1.879900      0.8279000    
 H    2.685300      -2.181900      0.4835000    
 H   0.5415000      -3.327200      0.8464000    
 H    4.678900       2.405500     -0.4789000    
 H    5.492300       1.138000      0.1360000    
 H   -1.652600      -3.225400      0.6434000    
 H   -3.831300       1.859100      -1.491500    


%chk=000122136-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122136

0 1
S -2.518264 1.512290 0.581456
O -1.917786 -0.202677 -0.796574
O -1.799041 -2.692488 0.363960
O -3.292755 2.210989 -0.948590
O -3.658333 1.603978 1.728291
O -1.097740 2.261835 0.861787
N 4.485344 2.042002 0.376340
C 3.018665 0.264036 -0.743358
C 1.758385 -0.551152 -0.544127
C 0.490885 -0.005240 -0.803554
C 3.314075 1.181309 0.507350
C 1.822445 -1.869564 0.008307
C -0.721753 -0.724686 -0.525515
C -0.610861 -2.052823 0.065591
C 0.662848 -2.616467 0.299998
H 3.894721 -0.391210 -0.911652
H 2.923058 0.922183 -1.627445
H 0.384247 1.001375 -1.220871
H 3.440603 0.541036 1.400077
H 2.422089 1.808632 0.693397
H 2.804568 -2.311223 0.216177
H 0.750890 -3.624309 0.725128
H 4.424834 2.807349 -0.296605
H 5.402937 1.597922 0.427197
H -1.644879 -3.584607 0.768503
H -2.985282 1.569812 -1.657668


