%chk=000124246.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124246

0 1
 S    2.203100      -3.652600     -0.1061000    
 O   -2.695600      -1.338500      0.8247000    
 O    2.369900      0.2698000     -0.6836000    
 O   -2.308800       2.185100      -1.207000    
 O    3.224500      -4.433000      0.5671000    
 O   0.9079000      -4.232400     -0.4016000    
 O   -6.474000     -4.8999999E-02  0.5457000    
 N    2.033200      -2.153000      0.7214000    
 N   -4.857000       1.338900     -0.4288000    
 C   0.9229000      -1.318100      0.3828000    
 C   -1.257800      0.2925000     -0.2649000    
 C   -1.454300     -0.9020000      0.4315000    
 C    1.118500     -0.1240000     -0.3126000    
 C  -0.3634000      -1.708900      0.7558000    
 C   2.9500000E-02  0.6854000     -0.6390000    
 C   -2.426100       1.129600     -0.5992000    
 C   -3.739700      0.6118000     -0.1513000    
 C   -3.776200     -0.5502000      0.5084000    
 C    2.910800      -3.088400      -1.637700    
 C    2.833700       1.478000     -0.1940000    
 C    2.652300       1.778000       1.144500    
 C    3.466400       2.357000      -1.055100    
 C    3.118800       2.996500       1.638100    
 C    3.933100       3.575400     -0.5616000    
 C    3.759200       3.895000      0.7849000    
 C   -6.131100      0.9573000     -6.2399998E-02
 H  -0.5226000      -2.630800       1.310000    
 H   0.1833000       1.609000      -1.191300    
 H    2.909600      -1.634500      0.8688000    
 H   -4.631700      -1.071900      0.9041000    
 H    3.828900      -2.537700      -1.424500    
 H    3.141000      -3.967300      -2.244300    
 H    2.187100      -2.462000      -2.161400    
 H   -4.737900       2.212000     -0.9354000    
 H    2.174300       1.088400       1.833600    
 H    3.601900       2.109700      -2.103600    
 H    2.987400       3.243800       2.687400    
 H    4.431800       4.275100      -1.225900    
 H    4.123500       4.843300       1.169200    
 H   -6.867700       1.706500     -0.3975000    


%chk=000124246-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124246

0 1
S 2.365292 -3.483910 0.244379
O -2.765212 -1.496143 -0.597695
O 2.429716 0.599940 -0.645935
O -2.415094 2.586179 0.225494
O 3.668959 -3.130910 1.156794
O 0.936246 -3.862993 0.924373
O -6.665892 -0.007449 0.039919
N 2.013490 -2.042032 -1.145394
N -4.871978 1.492888 0.207816
C 0.904459 -1.224783 -0.848809
C -1.315087 0.479582 -0.305686
C -1.490005 -0.907141 -0.579364
C 1.088814 0.180463 -0.563629
C -0.404631 -1.755843 -0.858841
C 0.001590 1.017167 -0.309880
C -2.479799 1.330481 -0.030873
C -3.785680 0.639012 -0.064748
C -3.883638 -0.711979 -0.339495
C 2.840382 -4.871849 -0.962985
C 2.848693 1.833139 -0.052868
C 2.624672 2.095338 1.315539
C 3.581061 2.714705 -0.871204
C 3.142101 3.287550 1.868591
C 4.097815 3.900703 -0.301366
C 3.876761 4.191467 1.064899
C -6.211956 1.153415 0.248868
H -0.575750 -2.813535 -1.066257
H 0.121830 2.085405 -0.107177
H 2.893291 -1.484060 -1.101299
H -4.815629 -1.273515 -0.378322
H 3.745385 -4.536023 -1.486155
H 3.019398 -5.759077 -0.339688
H 1.985686 -4.990624 -1.640448
H -4.569841 2.463428 0.387526
H 2.071415 1.381734 1.934249
H 3.738087 2.467712 -1.925289
H 2.977333 3.503177 2.929487
H 4.669122 4.595402 -0.926155
H 4.276772 5.112427 1.501605
H -6.859476 2.024353 0.489224


