%chk=000000458.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000458

1 1
 S    2.728000      0.1391000     -0.7226000    
 O   -2.469200       1.635200      0.2173000    
 O   -3.425600     -0.2760000     -0.5602000    
 N   -1.376300      -1.793800      0.2780000    
 C   8.3999997E-03  0.1520000     -0.2721000    
 C    1.300000     -0.5072000      0.2041000    
 C   -1.222500     -0.3537000      0.4887000    
 C    3.967500     -0.8980000      8.4799998E-02
 C    2.978700       1.603500      0.3057000    
 C   -2.489000      0.2990000     -2.3700001E-02
 H   8.2400002E-02   1.239600     -0.1484000    
 H  -0.1210000     -1.2400000E-02  -1.351100    
 H    1.447500     -0.3635000       1.279100    
 H    1.269200      -1.584100      8.1000002E-03
 H   -1.134900     -0.1586000       1.562900    
 H    3.859500      -1.923600     -0.2770000    
 H    3.852600     -0.8826000       1.171500    
 H    4.961800     -0.5303000     -0.1806000    
 H    3.944100       2.047500      4.8999999E-02
 H    2.970500       1.356200       1.370000    
 H    2.192300       2.331600      9.3500003E-02
 H   -1.492100      -1.994500     -0.7145000    
 H   -2.219000      -2.126300      0.7448000    
 H   -3.287400       2.075600     -9.7099997E-02


%chk=000000458-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000000458

1 1
S 2.741446 0.034802 -0.613916
O -2.674712 1.571822 0.472565
O -3.371321 -0.135219 -0.957275
N -1.307903 -1.847374 0.009921
C -0.054117 0.310972 -0.121034
C 1.170397 -0.467533 0.364638
C -1.330153 -0.438479 0.412266
C 4.062371 -1.039879 0.212923
C 3.139883 1.736661 0.108909
C -2.575425 0.310671 -0.109116
H -0.071458 1.353895 0.238101
H -0.094953 0.313561 -1.227507
H 1.405477 -0.312423 1.432118
H 1.014776 -1.540785 0.139815
H -1.338694 -0.366270 1.515509
H 3.836826 -2.080848 -0.059202
H 4.029495 -0.894013 1.302515
H 5.033527 -0.738832 -0.205194
H 4.147131 2.007155 -0.239587
H 3.093344 1.687670 1.206788
H 2.396721 2.437802 -0.295218
H -1.723587 -1.999914 -0.918739
H -1.722553 -2.484327 0.697600
H -3.481015 2.055584 0.143319


