%chk=000088197.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088197

0 1
 S  -0.6453000     -1.5100000E-02  -1.132500    
 S    3.954000      -1.466000     -0.2820000    
 S   -4.029900      0.3541000      -2.018200    
 P   -2.686700      0.2443000     -0.5921000    
 O   -2.749700       1.528300      0.4185000    
 O   -3.043200     -0.9198000      0.4997000    
 O    4.691300       1.110600     -6.8300001E-02
 O    1.711600      -2.830100     -0.1208000    
 N    1.624600     -0.5016000      0.1862000    
 N    2.452000      0.5970000      0.2016000    
 C   0.2243000     -0.3095000      0.4190000    
 C   -2.501600       2.836900     -6.8300001E-02
 C   -3.114700      -2.278800      0.1013000    
 C    2.231600      -1.726600     -5.8899999E-02
 C   -2.626100       3.820400       1.075800    
 C   -3.458900      -3.128500       1.306100    
 C    3.669300      0.2299000     -2.6200000E-02
 C    4.297400       2.454500      0.1591000    
 H  -0.1860000      -1.209800      0.8856000    
 H   7.7900000E-02  0.5353000       1.099100    
 H   -1.495100       2.884600     -0.4942000    
 H   -3.226600       3.087900     -0.8475000    
 H   -3.885500      -2.401900     -0.6644000    
 H   -2.152500      -2.591300     -0.3143000    
 H   -2.439500       4.842500      0.7349000    
 H   -3.626500       3.772400       1.518500    
 H   -1.914000       3.577700       1.871500    
 H   -3.522500      -4.185600       1.033700    
 H   -2.702500      -3.010200       2.089100    
 H   -4.415500      -2.816200       1.737700    
 H    3.601800       2.798500     -0.6137000    
 H    3.867300       2.576500       1.158800    
 H    5.192800       3.080800      0.1033000    


%chk=000088197-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088197

0 1
S -0.443545 0.955934 -1.132892
S 3.351062 -2.052236 0.324107
S -3.829139 0.378741 -2.386433
P -2.663936 0.477299 -0.688582
O -3.071980 1.625519 0.548070
O -2.609501 -0.851221 0.414480
O 4.965692 0.081953 -0.196739
O 0.589115 -2.328554 0.846433
N 1.499186 -0.154919 0.552068
N 2.679431 0.556557 0.236129
C 0.267198 0.601900 0.629806
C -3.389876 3.015481 0.107083
C -2.563533 -2.241028 -0.152041
C 1.537995 -1.553716 0.625505
C -3.752579 3.781507 1.375509
C -2.665591 -3.177095 1.045601
C 3.688439 -0.284125 0.100717
C 5.190943 1.538953 -0.403688
H -0.493621 0.019417 1.171545
H 0.463764 1.570724 1.104010
H -2.501024 3.445501 -0.395399
H -4.231058 2.979481 -0.610880
H -3.407559 -2.358035 -0.857650
H -1.604536 -2.371601 -0.685350
H -4.008363 4.826154 1.118812
H -4.621707 3.319868 1.873174
H -2.907422 3.791985 2.084398
H -2.663265 -4.224540 0.690653
H -1.800296 -3.038487 1.712833
H -3.597698 -2.998178 1.607577
H 4.562222 1.901188 -1.234327
H 4.945438 2.091696 0.518653
H 6.259344 1.615077 -0.645081


