%chk=000030838.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030838

1 1
 S    2.632600     -0.1562000      1.7500000E-02
 O    3.739500       1.019300     -0.2137000    
 O    2.620300      -1.021700      -1.147400    
 O    2.791700     -0.6892000       1.358100    
 N   -2.580600     -1.2500000E-02  7.9999998E-04
 C   -1.347400      0.8793000     -5.7999999E-03
 C  -7.7799998E-02  3.8699999E-02 -1.9999999E-04
 C   -2.539600     -0.9261000       1.217200    
 C   -3.831600      0.8525000      5.7900000E-02
 C   -2.604100     -0.8555000      -1.266100    
 C    1.196900      0.8713000     -1.8300001E-02
 H   -1.400100       1.515000     -0.8976000    
 H   -1.396100       1.519400      0.8833000    
 H  -2.9899999E-02 -0.5946000      0.8912000    
 H  -4.4199999E-02 -0.6284000     -0.8664000    
 H   -2.337000     -0.3212000       2.106000    
 H   -3.518900      -1.407100       1.310300    
 H   -1.784100      -1.703600       1.080200    
 H   -3.840000       1.505100     -0.8202000    
 H   -4.709500      0.1996000      5.5799998E-02
 H   -3.800200       1.445400      0.9767000    
 H   -2.467700     -0.1975000      -2.129300    
 H   -1.827300      -1.622400      -1.224400    
 H   -3.579500      -1.349400      -1.324500    
 H    1.243500       1.539900      0.8470000    
 H    1.241500       1.469900     -0.9339000    
 H    3.764900       1.406000      -1.120400    


%chk=000030838-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030838

1 1
S 2.724864 -0.066301 -0.322239
O 3.680172 1.273170 0.506631
O 3.283036 -0.348823 -1.809395
O 2.448533 -1.298708 0.692115
N -2.639275 -0.058122 0.066873
C -1.379770 0.828212 -0.147662
C -0.069915 0.040023 -0.319009
C -2.547084 -0.824061 1.388167
C -3.857511 0.869199 0.116619
C -2.813823 -1.046906 -1.086250
C 1.117036 1.012640 -0.380521
H -1.593448 1.444703 -1.038806
H -1.328661 1.493304 0.732960
H 0.103615 -0.645538 0.531660
H -0.089525 -0.565555 -1.242725
H -2.403861 -0.107252 2.211106
H -3.483964 -1.381931 1.538447
H -1.704565 -1.528592 1.352870
H -3.951180 1.394404 -0.846098
H -4.760183 0.267332 0.301553
H -3.723829 1.598896 0.929883
H -2.805410 -0.496277 -2.039410
H -1.997798 -1.782454 -1.067538
H -3.777303 -1.564719 -0.963384
H 1.217828 1.659030 0.504854
H 1.217550 1.584001 -1.315498
H 4.649771 1.026322 0.538597


