%chk=000113814.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113814

0 1
 S    2.609200       1.044800      0.4102000    
 P    4.195800     -0.2237000     -9.6699998E-02
 O   -4.936500       1.048200     -6.8000004E-02
 O    4.124100      -1.563400      0.8158000    
 O    5.581900      0.4442000      0.4184000    
 O    4.209200     -0.5244000      -1.570900    
 N   -1.324200      0.2309000     -0.1532000    
 N   -5.176000      -1.764200     -4.3200001E-02
 C   -3.777500      0.2619000     -0.3539000    
 C   -2.527100       1.017700      0.1109000    
 C  -0.1311000      0.9642000      0.2411000    
 C   -3.958600      -1.077800      0.3671000    
 C    1.110900      0.1414000     -7.7600002E-02
 H   -3.743700      0.1026000      -1.439000    
 H   -2.614800       1.242700       1.181500    
 H   -2.483200       1.983000     -0.4093000    
 H  -0.1688000       1.175800       1.317000    
 H  -8.6999997E-02   1.922000     -0.2930000    
 H   -1.276900      2.0000001E-03  -1.145800    
 H   -3.108500      -1.741700      0.1809000    
 H   -4.017600     -0.9146000       1.449500    
 H    1.172500     -7.2999999E-02  -1.149900    
 H    1.093400     -0.8136000      0.4584000    
 H   -4.838600       1.893600     -0.5384000    
 H   -5.150100      -1.930700      -1.048700    
 H   -5.978800      -1.156200      0.1163000    
 H    4.735900      -2.303600      0.6160000    
 H    6.431400      3.0700000E-02  0.1547000    


%chk=000113814-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113814

0 1
S 2.621596 -0.801211 1.649230
P 3.757263 -0.269622 -0.238251
O -4.473051 1.519467 -0.703698
O 5.176815 -1.214173 -0.046909
O 4.559028 1.264768 -0.045455
O 2.901651 -0.401955 -1.575131
N -1.104715 -0.083139 -0.100679
N -5.398587 -1.190059 -0.055519
C -3.495335 0.419475 -0.570259
C -2.140600 0.968495 -0.068446
C 0.170536 0.232335 0.568030
C -4.145583 -0.579791 0.412605
C 0.936486 -1.078944 0.804195
H -3.350626 -0.077904 -1.558945
H -2.264147 1.310309 0.977327
H -1.866316 1.872943 -0.672569
H -0.053416 0.712056 1.538729
H 0.813880 0.938891 -0.010266
H -0.953796 -0.450370 -1.050258
H -3.409102 -1.369760 0.642269
H -4.348631 -0.030381 1.352500
H 1.133083 -1.606986 -0.144076
H 0.388914 -1.746529 1.489478
H -4.141498 2.179893 -1.363724
H -5.275715 -1.900777 -0.783743
H -6.099846 -0.490057 -0.319258
H 6.000971 -0.768259 -0.376902
H 4.026042 2.060086 -0.300077


