%chk=000125774.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125774

0 1
 S   -2.359400     -0.2794000     -0.8144000    
 O    2.381600       1.433900     -0.9722000    
 O    2.435900      0.9481000       1.241400    
 N    1.792300      -1.617300      0.8785000    
 C   0.3911000     -0.7844000     -0.9469000    
 C    1.800100     -0.7969000     -0.3368000    
 C  -0.7260000     -0.2991000     -1.8500000E-02
 C    2.226200      0.5976000      8.6700000E-02
 C   -3.311700      0.3038000      0.4931000    
 C   -4.630100      0.4935000      0.3891000    
 H   0.4057000     -0.1523000      -1.844800    
 H   0.1529000      -1.800400      -1.290700    
 H    2.535300      -1.195500      -1.043500    
 H  -0.5062000      0.7165000      0.3278000    
 H  -0.7905000     -0.9461000      0.8627000    
 H    2.741100      -1.693900       1.243900    
 H    1.501500      -2.566300      0.6462000    
 H   -2.826100      0.5266000       1.437900    
 H    2.667100       2.329600     -0.6918000    
 H   -5.195700      0.8634000       1.238100    
 H   -5.176300      0.2906000     -0.5262000    


%chk=000125774-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125774

0 1
S -2.360345 -0.203828 -0.914968
O 2.342604 1.396320 -1.022998
O 2.780558 0.838131 1.187383
N 1.750947 -1.694773 0.869683
C 0.392228 -0.732930 -1.018437
C 1.790255 -0.856764 -0.327694
C -0.659567 -0.133964 -0.076600
C 2.346817 0.513741 0.059448
C -3.417976 0.139084 0.527028
C -4.722033 0.501758 0.443290
H 0.497691 -0.123539 -1.934039
H 0.079681 -1.750706 -1.320201
H 2.487641 -1.241459 -1.110220
H -0.440781 0.921372 0.160270
H -0.704926 -0.725689 0.853022
H 2.272858 -1.334970 1.671955
H 1.813444 -2.700416 0.717970
H -2.922796 -0.012390 1.494842
H 2.726439 2.269930 -0.740157
H -5.314813 0.639325 1.353940
H -5.229125 0.663766 -0.513920


