%chk=000008739.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008739

0 1
 S    2.829700     -8.6000003E-03  9.6400000E-02
 O    3.290300       1.247000      0.6727000    
 O    3.268900      -1.272400      0.6716000    
 O   -3.691800      -1.202000     -2.8700000E-02
 O   -3.864700       1.064500     -3.3700000E-02
 N    3.188400     -1.2700000E-02  -1.574200    
 C    1.084300      8.3999997E-03  6.1999999E-02
 C   0.3989000       1.223200      4.7800001E-02
 C   0.3750000      -1.192700      4.9800001E-02
 C   -1.704900      3.6200002E-02  9.4999997E-03
 C  -0.9956000       1.237200      2.1700000E-02
 C   -1.019700      -1.178800      2.3600001E-02
 C   -3.158800      5.0700001E-02 -1.8600000E-02
 H   0.9311000       2.170400      5.0400000E-02
 H   0.8887000      -2.150000      5.4099999E-02
 H   -1.510800       2.194100      9.4999997E-03
 H   -1.532200      -2.136600      1.3400000E-02
 H    3.585000      0.8443000      -1.978800    
 H    3.568400     -0.8775000      -1.978100    
 H   -4.672400      -1.181100     -4.8200000E-02


%chk=000008739-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008739

0 1
S 2.894192 -0.000806 0.054705
O 3.376867 1.433692 0.656995
O 3.371624 -1.440340 0.649459
O -3.833948 -1.215663 0.015003
O -3.944448 1.105255 0.004352
N 3.332969 0.002400 -1.726721
C 1.007673 0.002448 0.021722
C 0.351772 1.244317 0.024670
C 0.348158 -1.236813 0.029464
C -1.762902 0.005372 0.014379
C -1.057666 1.236849 0.020182
C -1.062526 -1.228391 0.025523
C -3.253833 0.059268 0.010245
H 0.924378 2.176478 0.054320
H 0.919225 -2.169867 0.062294
H -1.626957 2.171578 0.023827
H -1.625546 -2.165075 0.033621
H 3.860637 0.866947 -1.931949
H 3.862484 -0.860448 -1.934323
H -4.824351 -1.123603 0.014431


