%chk=000162410.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162410

0 1
 S   -3.600200      0.1061000      0.1539000    
 O   -1.983300      0.3020000      0.2833000    
 O    3.257200      -1.371800      0.5502000    
 O   -4.147700      0.4408000       1.653700    
 O    1.297600      -2.966100     -0.3618000    
 O   -4.095400       1.142100     -0.7334000    
 O   -3.885400      -1.289300     -0.1242000    
 N    2.069200       2.000600     -0.1676000    
 C   0.2578000      0.4346000     -0.5019000    
 C    1.093100     -0.6187000     -0.1465000    
 C   -1.167900      0.2238000     -0.8802000    
 C    2.415800     -0.3639000      0.1984000    
 C    2.850900      0.9514000      0.1723000    
 C   0.7895000       1.714100     -0.4966000    
 C    4.262300       1.280800      0.5335000    
 C   0.5866000      -1.986500     -0.1331000    
 H   -1.481600       1.005300      -1.583700    
 H   -1.328700     -0.7280000      -1.397700    
 H   0.1885000       2.578600     -0.7617000    
 H    4.963100      0.7893000     -0.1490000    
 H    4.438700       2.359800      0.4611000    
 H    4.479400      0.9834000       1.564400    
 H  -0.4855000      -2.130100      7.6700002E-02
 H    4.141900      -1.036600      0.7622000    
 H   -3.662100     -2.9000000E-03   2.388200    


%chk=000162410-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162410

0 1
S -3.437160 -0.466590 0.186708
O -1.951213 0.714133 0.238000
O 2.647338 -1.289848 1.126512
O -3.115661 -1.282837 1.736927
O -0.397609 -1.715759 1.603720
O -4.811864 0.314208 0.379042
O -3.194147 -1.440585 -1.082976
N 2.439812 1.942188 -0.693307
C 0.251847 0.857707 -0.707128
C 0.780050 -0.233951 0.045403
C -1.224741 0.898196 -1.054968
C 2.143380 -0.204678 0.415699
C 2.957778 0.904964 0.019849
C 1.116936 1.922709 -1.032770
C 4.421424 0.963462 0.399819
C -0.182317 -1.302855 0.427811
H -1.509389 1.872947 -1.485821
H -1.514866 0.088047 -1.755945
H 0.749423 2.798077 -1.579162
H 4.999175 0.120857 -0.030334
H 4.848239 1.898924 0.008794
H 4.567910 0.958079 1.498452
H -0.792050 -1.702496 -0.417494
H 3.606410 -1.169780 1.341062
H -2.144905 -1.626319 1.772608


