%chk=000026742.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026742

0 1
 S    3.126000       1.979500      4.9899999E-02
 S    3.760300      -1.466500      3.2699998E-02
 O   -1.390500     -7.7000000E-02  -2.147100    
 O   1.5699999E-02   1.967000      0.1347000    
 O   0.8486000      -2.562600      0.1317000    
 O   -5.361800      0.5309000      0.1026000    
 N   2.2000000E-02 -0.3737000      0.1613000    
 N   -3.348900      0.2437000     -0.9829000    
 C   -1.391100     -0.6409000      0.2038000    
 C   -2.036000     -3.1999999E-03   1.423900    
 C   -3.527900     -0.2830000       1.409500    
 C   -2.004800     -0.1143000      -1.081100    
 C   0.5743000      0.8828000      0.1319000    
 C   0.9861000      -1.350600      0.1281000    
 C    2.035700      0.6746000      9.2000000E-02
 C    2.276900     -0.6357000      7.8400001E-02
 C   -4.171800      0.2184000      0.1389000    
 C    4.692700       1.130500      0.4200000    
 C    4.894500     -0.1198000     -0.4282000    
 H   -1.555200      -1.725600      0.2185000    
 H   -1.885700       1.082400       1.443800    
 H   -1.591000     -0.4029000       2.342800    
 H   -4.004000      0.2153000       2.260800    
 H   -3.724700      -1.357900       1.489600    
 H   -3.782800      0.5699000      -1.842300    
 H    4.738400      0.8994000       1.490400    
 H    5.499600       1.840900      0.2116000    
 H    4.785100      9.9600002E-02  -1.496400    
 H    5.913200     -0.4939000     -0.2811000    


%chk=000026742-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000026742

0 1
S 3.262673 2.091976 0.078445
S 3.854499 -1.569234 -0.008010
O -1.349430 0.069837 -2.117700
O 0.027305 2.072151 0.239715
O 0.767331 -2.565756 0.234903
O -5.502908 0.382464 -0.082798
N 0.026062 -0.308030 0.298006
N -3.394268 0.205269 -1.027374
C -1.409456 -0.566030 0.273357
C -2.160656 0.011326 1.495601
C -3.662565 -0.322215 1.393325
C -2.011904 -0.063839 -1.060823
C 0.633982 0.974587 0.216273
C 1.010788 -1.335579 0.220098
C 2.111601 0.721579 0.127226
C 2.331301 -0.634584 0.125378
C -4.284032 0.118711 0.072720
C 4.868935 1.111955 0.356711
C 4.998140 -0.139688 -0.521710
H -1.507409 -1.672908 0.272081
H -2.007405 1.103921 1.537454
H -1.738158 -0.424406 2.417588
H -4.242195 0.153632 2.201306
H -3.824831 -1.415329 1.488599
H -3.810759 0.509250 -1.917097
H 4.936477 0.864680 1.427352
H 5.658754 1.838694 0.101050
H 4.802316 0.086071 -1.581244
H 6.008712 -0.571203 -0.422636


