%chk=000087566.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087566

0 1
 S    2.578800       1.465800     -0.8882000    
 S   -2.627200       2.070800     -0.1635000    
 S   0.1888000       2.084700      0.8816000    
 S    3.799500     -0.2742000       1.905800    
 S   -2.308700     -0.7153000      -2.260200    
 P    2.842600     -0.3372000      0.1992000    
 P   -2.823500     -1.4500000E-02 -0.5061000    
 O    1.365600      -1.024100      0.2935000    
 O   -2.073800     -0.8267000      0.6920000    
 C    3.650400      -1.428300      -1.005800    
 C   -4.565800     -0.3764000     -0.1480000    
 C    5.078000      -1.014400      -1.293600    
 C   -4.867200      -1.859600     -0.1862000    
 C    1.773400       2.653800      0.2105000    
 C  -0.9028000       2.504800     -0.5038000    
 C    1.200500      -2.367200      0.7142000    
 C   -2.308700     -0.5420000       2.058800    
 H    3.068000      -1.429500      -1.933700    
 H    3.652900      -2.454800     -0.6238000    
 H   -5.196200      0.1465000     -0.8758000    
 H   -4.821100      2.0300001E-02  0.8404000    
 H    5.133000      1.4000000E-02  -1.660500    
 H    5.705300      -1.086300     -0.4009000    
 H    5.512200      -1.667800      -2.057100    
 H   -4.734100      -2.272200      -1.189900    
 H   -4.219300      -2.418100      0.4951000    
 H   -5.905500      -2.040200      0.1095000    
 H    1.639200       3.605000     -0.3127000    
 H    2.445000       2.841400       1.053100    
 H  -0.8564000       3.583900     -0.6747000    
 H  -0.5757000       1.994200      -1.412600    
 H    1.278800      -3.029100     -0.1519000    
 H    1.943700      -2.651000       1.462100    
 H   0.2051000      -2.477500       1.150400    
 H   -2.722200      0.4565000       2.209900    
 H   -3.004100      -1.282000       2.462500    
 H   -1.361900     -0.6192000       2.599200    


%chk=000087566-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087566

0 1
S 2.137682 0.876744 -1.334033
S -2.695729 2.114339 0.416055
S 0.307474 1.920692 1.076802
S 3.859989 -0.201319 1.739164
S -2.094354 -0.723254 -1.918077
P 3.214097 -0.822828 -0.139921
P -3.007428 -0.128197 -0.165657
O 2.136994 -2.183106 -0.217155
O -2.444405 -1.117496 1.175106
C 4.506120 -1.451765 -1.344161
C -4.884590 -0.243531 -0.086500
C 5.678954 -0.471744 -1.508038
C -5.372009 -1.691299 -0.281973
C 1.887745 2.096153 0.077064
C -0.962091 2.315675 -0.265830
C 0.871020 -2.133044 0.551798
C -2.580229 -0.626409 2.563498
H 3.972066 -1.632633 -2.293250
H 4.833616 -2.425912 -0.939881
H -5.261105 0.428110 -0.877310
H -5.194246 0.168022 0.891782
H 5.341124 0.494820 -1.921614
H 6.176256 -0.280476 -0.540995
H 6.423334 -0.901554 -2.201591
H -5.057732 -2.086390 -1.263529
H -4.973335 -2.360960 0.499396
H -6.475408 -1.718941 -0.234502
H 1.947257 3.097488 -0.376267
H 2.703932 1.952902 0.811984
H -0.877921 3.364834 -0.588838
H -0.827091 1.623603 -1.119502
H 1.074916 -1.946097 1.621810
H 0.200997 -1.356903 0.145652
H 0.420990 -3.126195 0.410387
H -2.014482 0.311701 2.701668
H -3.640771 -0.474508 2.843962
H -2.145036 -1.426423 3.181292


