%chk=000067127.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067127

0 1
 S    2.449100      -1.239600     -7.9700001E-02
 S   -2.950200     -0.6750000     -8.5500002E-02
 O    2.425500       1.755900      1.0800000E-02
 O    3.106400      -1.102800       1.409900    
 O   -3.348300     -0.9001000       1.484200    
 O    1.983300      -2.610800     -0.2162000    
 O    3.380100     -0.6706000      -1.040300    
 O   -3.878400      0.3096000     -0.6218000    
 O   -2.813700      -1.982300     -0.7086000    
 N   0.1736000       3.410700      5.5700000E-02
 C    1.045100     -0.1958000     -5.6299999E-02
 C   -1.359000      4.3499999E-02 -5.6400001E-02
 C  -0.2260000     -0.7700000     -7.8000002E-02
 C    1.183100       1.191600     -1.3200000E-02
 C   5.0099999E-02   2.004900      8.5000005E-03
 C   -1.220900       1.430900     -1.3200000E-02
 H  -0.3429000      -1.849200     -9.9799998E-02
 H   -2.098400       2.072400      1.1500000E-02
 H    1.060200       3.865500      0.2135000    
 H  -0.6663000       3.975500      7.1800001E-02
 H    2.363500       2.705400     -0.1740000    
 H    2.530800      -1.396600       2.154800    
 H   -3.405300     -7.9300001E-02   2.027800    


%chk=000067127-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000067127

0 1
S 2.507755 -1.067832 -0.039267
S -3.061226 -0.599793 0.004096
O 2.333561 2.087360 -0.124486
O 2.547582 -1.423212 1.768020
O -3.236423 -0.631823 1.852527
O 2.349718 -2.458065 -0.833788
O 3.771705 -0.076946 -0.393076
O -4.152449 0.436268 -0.591516
O -2.975677 -2.120944 -0.535147
N 0.136395 3.586324 -0.113123
C 0.984508 -0.009490 -0.044897
C -1.368507 0.182828 -0.010204
C -0.262105 -0.668641 -0.008258
C 1.142837 1.396462 -0.073081
C -0.043395 2.220377 -0.073807
C -1.307414 1.586870 -0.036010
H -0.357767 -1.758259 -0.008009
H -2.232434 2.172575 -0.055127
H 1.086328 3.952381 -0.143878
H -0.653005 4.225227 -0.111849
H 3.124113 1.441467 -0.216390
H 3.232792 -2.137549 1.927795
H -4.125494 -1.041784 2.064973


