%chk=000067944.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067944

0 1
 S   -2.798000     -5.6400001E-02  9.9200003E-02
 S  -0.3106000       1.543700      4.3299999E-02
 O   -3.206700      -1.330400      0.6794000    
 O   -3.301000       1.187200      0.6716000    
 N  -0.2617000      -1.035100      5.0299998E-02
 N   -3.164600     -7.3500000E-02  -1.571000    
 C    1.234300      0.7788000      1.4100000E-02
 C    1.058000     -0.6083000      2.2100000E-02
 C   -1.060400      6.3999998E-03  6.3500002E-02
 C    2.510400       1.363800     -1.3900000E-02
 C    2.201000      -1.436700      1.4000000E-03
 C    3.624800      0.5214000     -3.3700000E-02
 C    3.474500     -0.8609000     -2.6200000E-02
 H    2.635500       2.442300     -1.9900000E-02
 H    2.095100      -2.517900      7.0000002E-03
 H    4.621700      0.9539000     -5.5300001E-02
 H    4.352900      -1.500300     -4.1999999E-02
 H   -4.062500     -0.4927000      -1.844200    
 H   -2.950000      0.7793000      -2.103800    


%chk=000067944-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000067944

0 1
S -2.904070 0.078839 0.065077
S -0.215235 1.793386 0.238044
O -3.384792 -1.221978 0.902564
O -3.397236 1.590412 0.404956
N -0.261253 -0.892818 -0.066377
N -3.224459 -0.169886 -1.717272
C 1.352420 0.869663 0.117430
C 1.105214 -0.537083 -0.038871
C -1.011232 0.158063 0.062278
C 2.662970 1.382832 0.166158
C 2.188365 -1.440080 -0.149528
C 3.732355 0.466909 0.053354
C 3.497934 -0.927563 -0.102536
H 2.856883 2.452449 0.287287
H 1.987275 -2.508750 -0.265288
H 4.760966 0.840931 0.087583
H 4.349727 -1.610067 -0.185655
H -3.452637 -1.159985 -1.897754
H -3.950495 0.499328 -2.019550


