%chk=000166488.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166488

1 1
 S    1.280400      -2.048000     -0.6213000    
 O   0.7618000      0.4579000      0.2706000    
 O    2.666200      0.5503000      -1.036400    
 N   -2.107900      0.2094000      7.9999998E-04
 C   -1.195300     -0.9625000      9.8000001E-03
 C   -2.236500      0.7878000      -1.414800    
 C   -3.508900     -0.1889000      0.4836000    
 C   -1.580700       1.316400      0.9234000    
 C   0.1799000     -0.5833000     -0.5417000    
 C    1.333400      -2.457500       1.140300    
 C    1.991700      0.9244000     -8.6900003E-02
 C    2.416000       1.994100      0.8727000    
 H   -1.142600      -1.300300       1.050400    
 H   -1.659000      -1.752100     -0.5946000    
 H   -3.043200       1.527800      -1.405200    
 H   -1.308500       1.285900      -1.705200    
 H   -2.483400     -2.8500000E-02  -2.099800    
 H   -3.888300     -0.9704000     -0.1812000    
 H   -3.421000     -0.5634000       1.507600    
 H   -4.159400      0.6901000      0.4489000    
 H   -2.429700       1.953200       1.196600    
 H   -1.171400      0.8675000       1.833000    
 H  -0.8712000       1.954800      0.3930000    
 H   0.1133000     -0.2261000      -1.573100    
 H   0.3877000      -2.895300       1.467900    
 H    1.573500      -1.582900       1.749400    
 H    2.116600      -3.204200       1.299800    
 H    3.416900       2.344900      0.6055000    
 H    2.450000       1.589600       1.887500    
 H    1.723600       2.837800      0.8172000    


%chk=000166488-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166488

1 1
S 1.182749 -2.383081 -0.338260
O 0.987083 0.268294 0.428928
O 1.380201 1.554210 -1.486089
N -2.131762 0.292285 -0.011649
C -1.160912 -0.924759 0.128565
C -2.006835 0.940856 -1.392082
C -3.556463 -0.239675 0.160638
C -1.866564 1.332674 1.078569
C 0.269802 -0.734713 -0.384089
C 1.315198 -2.664829 1.526818
C 1.665381 1.311988 -0.297632
C 2.680326 1.994626 0.571510
H -1.163799 -1.194959 1.198394
H -1.617478 -1.745869 -0.449751
H -2.793050 1.705717 -1.487994
H -1.015373 1.405901 -1.502962
H -2.145476 0.168922 -2.165144
H -3.800195 -0.904316 -0.682024
H -3.622339 -0.796497 1.107991
H -4.256439 0.609748 0.179498
H -2.516106 2.203336 0.900443
H -2.098068 0.886922 2.058233
H -0.809459 1.623365 1.048421
H 0.304842 -0.442900 -1.448114
H 0.388701 -3.089967 1.939845
H 1.585578 -1.717045 2.015163
H 2.136761 -3.386099 1.651783
H 2.862646 3.017564 0.210521
H 3.633451 1.435897 0.509687
H 2.371599 2.000903 1.628583


