%chk=000052956.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052956

0 1
 S   -3.712500     -0.2477000     -9.1200002E-02
 S  -0.8872000      -1.167200     -8.7399997E-02
 O   -4.434900      0.8987000     -0.6341000    
 O   -3.899000      -1.562400     -0.6973000    
 O    2.889000       1.596600      3.7099998E-02
 O    4.499800     -0.7093000      -1.116900    
 N    1.633600     -0.4157000     -3.7099998E-02
 N   -1.482300       1.324400     -2.1000000E-02
 N   -4.059500     -0.3679000       1.579600    
 N  -9.9500000E-02   1.269700     -8.0000004E-03
 N    4.488000     -0.7406000       1.212000    
 C   -2.017400      0.1229000     -6.1700001E-02
 C   0.3136000      3.9000001E-02 -3.9299998E-02
 C    2.754200      0.3852000     -9.9999997E-05
 C    4.014100     -0.4256000     -3.4499999E-02
 H    1.743600      -1.425900     -6.8800002E-02
 H   -5.031900     -0.1943000       1.864300    
 H   -3.635100      -1.154500       2.087800    
 H    4.013800     -0.4510000       2.061400    
 H    5.339100      -1.281000       1.326900    


%chk=000052956-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052956

0 1
S -3.938415 -0.147100 -0.255020
S -0.961886 -1.333626 -0.530394
O -4.516924 1.288809 -0.723262
O -4.151820 -1.512232 -1.108109
O 2.836064 1.276484 1.053888
O 3.948897 -1.876928 -0.261195
N 1.667253 -0.584077 0.113034
N -1.516353 1.047843 0.578910
N -4.445777 -0.535610 1.449511
N -0.118654 0.947842 0.681721
N 5.204804 -0.100432 0.639922
C -2.065371 0.001999 0.003971
C 0.340818 -0.201845 0.165717
C 2.790618 0.135652 0.537119
C 4.054986 -0.723804 0.262753
H 1.934995 -1.504757 -0.279300
H -4.727277 0.322452 1.948112
H -5.157867 -1.282400 1.431277
H 5.145686 0.834354 1.051262
H 6.105722 -0.559223 0.511784


