%chk=000010124.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010124

0 1
 S   0.3231000       1.572100     -0.3737000    
 S    2.016800     -0.7449000     -0.9901000    
 O   0.4653000       1.843800      -1.793700    
 O   0.3618000       2.643900      0.6081000    
 N    3.513600     -0.4694000       1.099400    
 N   -4.619400      -1.647100      0.3768000    
 N    4.069400      -2.290500     -0.3027000    
 C   -1.128400      0.6270000     -0.1537000    
 C    1.708100      0.5287000      8.7600000E-02
 C   -1.625100     -0.1437000      -1.204800    
 C   -1.791100      0.6425000       1.073500    
 C   -2.784700     -0.8988000      -1.028800    
 C   -2.950500     -0.1127000       1.249700    
 C   -3.447300     -0.8833000      0.1985000    
 C    2.571500      0.5402000       1.124200    
 C    3.316800      -1.207800      2.9800000E-02
 H   -1.126300     -0.1738000      -2.169300    
 H   -1.418400       1.230900       1.907200    
 H   -3.161600      -1.495800      -1.855400    
 H   -3.457100     -9.3500003E-02   2.211300    
 H    2.582700       1.248700       1.941200    
 H   -4.980500      -2.205600     -0.3851000    
 H   -5.100700      -1.635600       1.266200    
 H    3.883400      -2.834200      -1.139000    
 H    4.846800      -2.598000      0.2725000    


%chk=000010124-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000010124

0 1
S 0.341982 1.529416 -0.444219
S 2.304487 -0.904230 -1.228354
O 0.407874 1.893170 -2.037849
O 0.424067 2.662253 0.738922
N 3.572109 -0.498074 1.127897
N -4.817497 -1.546154 0.422846
N 4.522190 -2.269790 -0.168750
C -1.228458 0.538532 -0.165257
C 1.748462 0.376262 -0.074701
C -1.826599 -0.094051 -1.269005
C -1.798530 0.530284 1.119801
C -3.028764 -0.795557 -1.068913
C -3.000438 -0.171763 1.315844
C -3.629804 -0.850585 0.226527
C 2.532336 0.431870 1.060057
C 3.609195 -1.269368 0.042715
H -1.371812 -0.014413 -2.262090
H -1.320710 1.080346 1.937415
H -3.513746 -1.296592 -1.914742
H -3.463421 -0.191374 2.309258
H 2.383223 1.149653 1.866850
H -5.280133 -2.017972 -0.348841
H -5.259851 -1.576473 1.336942
H 4.533515 -2.823317 -1.020086
H 5.228524 -2.428974 0.547433


