%chk=000080417.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080417

0 1
 S   -3.943600     -0.3253000      7.0500001E-02
 O   6.2000002E-03   2.876500      4.1000000E-03
 O   -4.383100     -0.4169000      -1.501600    
 O   -4.144400      -1.647600      0.6452000    
 O   -4.587700      0.8419000      0.6523000    
 N    4.210000     -3.5700001E-02 -2.1100000E-02
 C   0.5320000      0.5185000      1.5100000E-02
 C   6.4199999E-02 -0.8171000      2.9800000E-02
 C    2.823900     -0.2970000     -3.5999999E-03
 C    1.915000      0.7616000     -1.6000000E-03
 C   -2.227800     -1.7000000E-03  4.8700001E-02
 C   -1.318900      -1.060300      4.6500001E-02
 C  -0.3971000       1.571600      1.7600000E-02
 C   0.9933000      -1.870300      2.7400000E-02
 C    2.363900      -1.610300      1.0800000E-02
 C   -1.767700       1.311700      3.4200002E-02
 C    5.162500      -1.128000     -2.4100000E-02
 C    4.699200       1.328200     -5.0299998E-02
 H    2.276200       1.783400     -3.2200001E-02
 H   -1.678000      -2.087600      5.0200000E-02
 H   0.6558000      -2.904700      3.8500000E-02
 H    3.029900      -2.467500      9.4999997E-03
 H   -2.462900       2.147100      2.8000001E-02
 H    6.195900     -0.7639000     -3.3799998E-02
 H    5.044500      -1.753700     -0.9157000    
 H    5.059700      -1.745900      0.8750000    
 H    5.794500       1.364200     -6.0199998E-02
 H    4.380200       1.883900      0.8385000    
 H    4.364400       1.850800     -0.9534000    
 H   0.8433000       2.969900      0.4855000    
 H   -3.953400      -1.137800      -2.019300    


%chk=000080417-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080417

0 1
S -3.996385 -0.450558 0.035526
O -0.056717 2.918158 0.041900
O -4.230450 -0.392984 -1.814480
O -4.256300 -1.967819 0.537052
O -4.840069 0.776726 0.672322
N 4.302549 -0.020592 -0.005238
C 0.574930 0.504957 0.038644
C 0.103939 -0.864830 0.076430
C 2.932224 -0.275934 0.032361
C 1.974987 0.771445 0.000333
C -2.174696 -0.079892 0.035257
C -1.294256 -1.153409 0.066764
C -0.415972 1.561957 0.041749
C 1.084213 -1.910277 0.108517
C 2.445290 -1.637563 0.094306
C -1.782474 1.280846 0.026335
C 5.272499 -1.127158 0.002930
C 4.785005 1.364886 -0.067587
H 2.331067 1.803228 -0.087714
H -1.660594 -2.184359 0.094365
H 0.739995 -2.950224 0.143772
H 3.153832 -2.468968 0.122561
H -2.515733 2.091103 0.040753
H 6.292142 -0.714798 -0.044952
H 5.139104 -1.799475 -0.867745
H 5.197748 -1.735832 0.925965
H 5.885653 1.372498 -0.069524
H 4.443462 1.955578 0.807055
H 4.439682 1.880193 -0.987431
H 0.891109 3.040279 0.295848
H -5.215787 -0.449184 -1.985572


