%chk=000028582.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028582

0 1
 S  -0.5659000      -3.686100     -0.9551000    
 S   -4.203400       1.712300      0.9288000    
 O   6.2000002E-03  0.6788000      -1.355100    
 N    2.514900      0.5768000     -0.1402000    
 C    1.744000      0.1746000       1.034400    
 C   0.3051000      0.7475000       1.007900    
 C  -0.6369000      0.2344000     -0.1381000    
 C    2.475100      0.6448000       2.294800    
 C  -0.7465000      -1.302900     -0.1831000    
 C   -2.051200      0.8212000     -2.7100001E-02
 C    3.876000     -1.9500000E-02 -0.1276000    
 C    2.572900       2.035500     -0.2384000    
 C   -1.321300      -2.028700      0.8564000    
 C   -2.809800       1.144200      -1.153100    
 C  -0.2907000      -2.018000      -1.226700    
 C   -2.638100       1.058900       1.163200    
 C    3.819100      -1.529800     -2.5800001E-02
 C    3.274500       2.478800      -1.505500    
 C   -1.290800      -3.374500      0.5646000    
 C   -4.033000       1.651500     -0.7740000    
 H    1.644100     -0.9138000       1.084000    
 H   0.2938000       1.842900       1.047000    
 H  -0.1365000      0.4463000       1.968700    
 H    3.481400      0.2354000       2.411200    
 H    2.515400       1.732000       2.407100    
 H    1.922300      0.2850000       3.172900    
 H    4.354500      0.1849000      -1.092100    
 H    4.536500      0.4065000      0.6349000    
 H    1.586400       2.498600     -0.2879000    
 H    3.107100       2.500400      0.5967000    
 H  -6.4700000E-02   1.647800      -1.394200    
 H   -1.732100      -1.640400       1.778600    
 H   -2.516800       1.023800      -2.188000    
 H   0.1898000      -1.697600      -2.140300    
 H   -2.280100      0.8972000       2.169300    
 H    3.569000      -1.875600      0.9815000    
 H    4.802300      -1.950900     -0.2646000    
 H    3.103500      -1.958300     -0.7359000    
 H    4.355500       2.312200      -1.467400    
 H    2.869300       1.974100      -2.389400    
 H    3.130200       3.555600      -1.651100    
 H   -1.656900      -4.189900       1.172500    
 H   -4.835300       1.988200      -1.415400    


%chk=000028582-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028582

0 1
S -0.035448 -3.381116 -1.455522
S -4.340340 1.917331 1.014428
O -0.141731 1.125074 -1.385487
N 2.602149 0.557966 0.034459
C 1.719756 0.295519 1.205313
C 0.294475 0.899963 1.086102
C -0.597916 0.485010 -0.122294
C 2.331740 0.739914 2.571376
C -0.536762 -1.017627 -0.380806
C -2.060603 0.915502 0.092711
C 3.846697 -0.255172 0.002137
C 2.882530 1.986631 -0.252212
C -1.111560 -1.999178 0.517727
C -3.055824 0.698006 -0.942747
C 0.075329 -1.588665 -1.480905
C -2.590083 1.558040 1.202806
C 3.626413 -1.775300 0.112455
C 3.135893 2.251425 -1.751691
C -0.931203 -3.305760 0.101569
C -4.313009 1.166439 -0.620282
H 1.584920 -0.801378 1.239569
H 0.334394 2.008375 1.124940
H -0.232609 0.584317 2.008055
H 3.335640 0.301371 2.716885
H 2.430707 1.840551 2.628755
H 1.698320 0.410915 3.416671
H 4.337812 -0.049792 -0.967311
H 4.576131 0.068631 0.791890
H 2.007877 2.585094 0.059797
H 3.750402 2.367470 0.345393
H -0.232011 2.105583 -1.271876
H -1.658396 -1.734042 1.426887
H -2.814196 0.207329 -1.888199
H 0.590169 -1.080450 -2.291647
H -2.103261 1.859635 2.127943
H 3.302707 -2.087349 1.121811
H 4.573080 -2.303100 -0.106074
H 2.864139 -2.109651 -0.612132
H 4.052598 1.751046 -2.111852
H 2.282142 1.868633 -2.336729
H 3.254303 3.335360 -1.941540
H -1.263860 -4.230312 0.569292
H -5.232609 1.131962 -1.201266


