%chk=000021359.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021359

0 1
 S  -0.1088000      0.4650000      0.6795000    
 O    2.947700      -1.527500       1.237300    
 O    2.573100      -1.425500     -0.9977000    
 N    3.710000       1.248200     -0.5238000    
 C    2.622500      0.6459000      0.2498000    
 C    1.276100       1.197700     -0.2226000    
 C   -1.464100       1.279900     -0.2050000    
 C   -2.779100      0.8385000      0.3582000    
 C   -3.539400     -0.2001000     -3.9099999E-02
 C    2.719000     -0.8586000      7.9000004E-02
 C   -4.855500     -0.5921000      0.5707000    
 C   -3.101700      -1.071400      -1.186200    
 H    2.774000      0.8959000       1.307200    
 H    1.246900       2.284400     -8.3499998E-02
 H    1.135900      0.9888000      -1.289800    
 H   -1.375100       2.363900     -7.2600000E-02
 H   -1.389900       1.088000      -1.278900    
 H   -3.145900       1.438700       1.190300    
 H    4.606900      0.9566000     -0.1364000    
 H    3.676600       2.262500     -0.4279000    
 H   -4.801600      -1.607400      0.9764000    
 H   -5.136900      8.0200002E-02   1.387800    
 H   -5.650300     -0.5562000     -0.1812000    
 H   -3.773600     -0.9292000      -2.039300    
 H   -2.081200     -0.8968000      -1.532100    
 H   -3.149300      -2.125300     -0.8894000    
 H    2.988800      -2.497600       1.097600    


%chk=000021359-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021359

0 1
S -0.267319 1.444818 1.078006
O 2.788159 -1.670422 -0.253490
O 1.030279 -0.635989 -1.353425
N 3.715108 1.009986 -0.089854
C 2.363423 0.609039 0.368248
C 1.387536 1.789969 0.222921
C -1.424431 1.332215 -0.467597
C -2.810848 0.958843 -0.031558
C -3.341249 -0.301267 -0.016100
C 1.943035 -0.578239 -0.504622
C -4.770540 -0.534031 0.443660
C -2.586732 -1.550407 -0.431354
H 2.334445 0.254241 1.425805
H 1.820336 2.686921 0.699412
H 1.198433 2.007563 -0.840577
H -1.405956 2.332894 -0.930551
H -0.952349 0.600097 -1.138352
H -3.439563 1.787593 0.324340
H 4.406544 0.254909 -0.047466
H 4.047367 1.882656 0.330850
H -4.798479 -1.219126 1.314455
H -5.269920 0.407381 0.730952
H -5.370773 -1.014424 -0.354640
H -3.115708 -2.067503 -1.256767
H -1.553656 -1.348587 -0.754972
H -2.543977 -2.266209 0.413636
H 2.541933 -2.426419 -0.852661


