%chk=000084217.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084217

0 1
 S  -0.3243000      7.1199998E-02   2.994600    
 P  -0.1650000      2.4000001E-03   1.038900    
 O    2.214000       3.340000     -0.7377000    
 O   -4.392500      0.2054000     -0.4226000    
 O    2.340100      -3.098000      -1.000900    
 N   0.6665000       1.257200      0.3574000    
 N   -1.612500     -6.0000003E-04  0.2257000    
 N   0.6054000      -1.346800      0.4536000    
 C   0.9528000       1.223100      -1.072200    
 C    1.759900       1.863800       1.123400    
 C   -2.585700      -1.028400      0.6193000    
 C   -2.288600       1.295700      8.1799999E-02
 C    2.031900      -1.482200      0.7777000    
 C   0.3845000      -1.667300     -0.9631000    
 C    1.315900       2.617900      -1.581900    
 C    2.825500       2.523200      0.2519000    
 C   -3.760700      -1.071800     -0.3498000    
 C   -3.469900       1.194800     -0.8756000    
 C    2.554200      -2.860000      0.3895000    
 C   0.9485000      -3.039700      -1.310000    
 H   9.6500002E-02  0.8904000      -1.665800    
 H    1.823400      0.5967000      -1.281700    
 H    2.263700       1.139900       1.771200    
 H    1.317200       2.630100       1.770400    
 H   -2.965700     -0.8113000       1.624800    
 H   -2.119000      -2.018400      0.6526000    
 H   -1.619600       2.069500     -0.3028000    
 H   -2.641600       1.630800       1.064900    
 H    2.196200      -1.347200       1.851300    
 H    2.628200     -0.7299000      0.2540000    
 H   0.8797000      -1.007100      -1.663600    
 H  -0.6741000      -1.694100      -1.228900    
 H    1.769400       2.548300      -2.576700    
 H   0.4133000       3.231300      -1.681300    
 H    3.465500       3.163200      0.8680000    
 H    3.477300       1.785900     -0.2318000    
 H   -3.445100      -1.383000      -1.353000    
 H   -4.506700      -1.792500      3.9999999E-04
 H   -4.001300       2.151100     -0.9150000    
 H   -3.143800      0.9544000      -1.894900    
 H    3.631500      -2.917500      0.5755000    
 H    2.074600      -3.653400      0.9757000    
 H   0.4204000      -3.838700     -0.7750000    
 H   0.8370000      -3.233800      -2.382000    


%chk=000084217-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000084217

0 1
S 0.454945 0.061629 3.013201
P 0.240905 0.039786 0.930526
O 2.232762 3.808347 -1.038403
O -4.205799 -0.032013 -0.399367
O 1.749700 -4.000890 -0.736475
N 0.879175 1.503226 0.204079
N -1.389341 -0.004509 0.226176
N 0.899663 -1.425445 0.213746
C 0.988919 1.634330 -1.271192
C 1.584712 2.527907 1.018867
C -2.225867 -1.194164 0.556750
C -2.195151 1.245168 0.319094
C 2.035657 -2.118625 0.864451
C 0.734719 -1.782436 -1.215561
C 1.079073 3.122001 -1.652321
C 2.721790 3.148694 0.193683
C -3.395759 -1.260096 -0.440314
C -3.363311 1.142805 -0.677102
C 1.864921 -3.637150 0.690410
C 0.600392 -3.313143 -1.340826
H 0.093390 1.192286 -1.748426
H 1.880267 1.099195 -1.664777
H 1.986502 2.055139 1.934720
H 0.882056 3.322703 1.342072
H -2.618902 -1.116101 1.593758
H -1.607963 -2.106375 0.490404
H -1.555092 2.111436 0.075476
H -2.591576 1.381151 1.349021
H 2.048740 -1.852812 1.937803
H 2.998700 -1.804681 0.405619
H 1.617946 -1.451470 -1.805493
H -0.167418 -1.286392 -1.615224
H 1.204288 3.227978 -2.744910
H 0.146852 3.642254 -1.347875
H 3.225717 3.943875 0.768315
H 3.467789 2.369991 -0.070266
H -3.002091 -1.417048 -1.468963
H -4.089087 -2.077005 -0.180471
H -4.035696 2.012086 -0.587766
H -2.964406 1.082603 -1.713771
H 2.750192 -4.181151 1.058636
H 0.959486 -3.976719 1.237672
H -0.339804 -3.648274 -0.849143
H 0.595005 -3.623490 -2.399530


