%chk=000056977.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056977

0 1
 S   -3.859500     -0.9395000      0.2886000    
 S    2.805800      -1.295500      0.4357000    
 O   -3.385300      -1.870800       1.538700    
 O   -4.290400      -1.790900     -0.7990000    
 O   -4.677500      0.1437000      0.7901000    
 O   -1.238000      0.3871000      -2.165200    
 O  -8.9900002E-02   2.321300      0.7413000    
 O   -3.301000       1.215800      -1.725800    
 N   0.5716000      6.4199999E-02  0.7225000    
 N    2.642700       1.261000      0.3724000    
 N    3.981500      0.9668000      0.1816000    
 C   -2.254100     -0.2848000     -0.1138000    
 C   -1.744000      0.5903000       1.032700    
 C  -0.3291000       1.121300      0.8191000    
 C   -2.351800      0.5161000      -1.398400    
 C    1.948800      0.1733000      0.5138000    
 C    5.521400     -0.9713000      1.9200001E-02
 C    4.202800     -0.3302000      0.1932000    
 C    5.846100      -1.277800      -1.446600    
 H   -1.617700      -1.157100     -0.2999000    
 H   -1.747300      4.1800000E-02   1.982200    
 H   -2.395900       1.462100       1.172300    
 H   0.2353000     -0.8895000      0.8243000    
 H    6.296400     -0.3034000      0.4149000    
 H    5.589700      -1.896800      0.6035000    
 H   -2.865900      -2.673700       1.297600    
 H    5.121300      -1.978800      -1.873600    
 H    6.842100      -1.724300      -1.527400    
 H    5.829300     -0.3646000      -2.051100    
 H   -1.300100      0.9125000      -2.991300    


%chk=000056977-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056977

0 1
S -4.326152 -0.314233 0.270345
S 3.172568 0.491831 0.304069
O -4.958506 -0.319878 -1.474909
O -4.814148 1.016083 1.046074
O -4.603836 -1.757044 0.945309
O -2.456845 2.120236 -0.686810
O -0.132072 -2.537655 -1.337912
O -0.965686 1.311751 0.903296
N 0.736041 -0.886096 0.117277
N 2.717820 -1.891263 -0.868593
N 4.088890 -1.632895 -1.042513
C -2.367245 -0.243399 -0.377475
C -1.663366 -1.436802 0.242884
C -0.280649 -1.692867 -0.428140
C -1.847202 1.115418 0.028409
C 2.092340 -0.919427 -0.212196
C 5.932580 -0.005529 -0.546094
C 4.511499 -0.489185 -0.516304
C 6.559978 0.146897 0.863860
H -2.565442 -0.313277 -1.459246
H -2.259439 -2.348706 0.079515
H -1.540146 -1.289026 1.329800
H 0.420994 -0.149413 0.765641
H 6.503338 -0.742021 -1.138826
H 5.987130 0.961216 -1.082629
H -5.958904 -0.341309 -1.455045
H 6.019006 0.897391 1.467886
H 7.611409 0.472325 0.775765
H 6.538406 -0.812707 1.408334
H -2.165058 3.017885 -0.370172


