%chk=000063213.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063213

0 1
 S   -3.344500      -1.392900     -1.0000000E-03
 O  -0.3454000       2.709100      2.6000000E-03
 N  -0.5955000      -1.373300      6.0000003E-04
 N   -1.675100      0.7835000     -5.0000002E-04
 C   0.6823000     -0.7175000      1.9999999E-04
 C   0.7634000      0.6718000     -9.9999997E-05
 C  -0.4568000       1.484500      3.0000001E-04
 C   -1.813400     -0.6402000     -3.0000001E-04
 C    1.894300      -1.438200      9.9999997E-05
 C    2.008200       1.327000     -6.9999998E-04
 C  -0.5633000      -2.851700      1.5000000E-03
 C   -2.877800       1.633800     -1.1000000E-03
 C    3.133100     -0.7905000     -3.9999999E-04
 C    3.190400      0.5947000     -1.0000000E-03
 H    1.918500      -2.524300      3.0000001E-04
 H    2.076700       2.412000     -1.1000000E-03
 H  -4.8900001E-02  -3.200100     -0.9004000    
 H   -1.549900      -3.313900      2.7000001E-03
 H  -4.7499999E-02  -3.199000      0.9031000    
 H   -3.471700       1.417200     -0.8948000    
 H   -2.641700       2.701000     -2.0000001E-03
 H   -3.471500       1.418500      0.8930000    
 H    4.049400      -1.373700     -6.0000003E-04
 H    4.149300       1.103500     -1.6000000E-03


%chk=000063213-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063213

0 1
S -3.311252 -1.382476 0.000096
O -0.432526 2.785451 -0.000155
N -0.556993 -1.345094 0.000482
N -1.659597 0.781324 -0.000332
C 0.710941 -0.718255 0.000080
C 0.791341 0.703633 -0.000175
C -0.433168 1.519683 -0.000213
C -1.765627 -0.623591 0.000123
C 1.918551 -1.473377 -0.000052
C 2.050607 1.352187 -0.000463
C -0.595108 -2.825286 0.001237
C -2.912096 1.577008 -0.000768
C 3.160928 -0.812607 -0.000364
C 3.238838 0.603299 -0.000552
H 1.896731 -2.564453 0.000040
H 2.053271 2.446841 -0.000618
H -0.096911 -3.219256 -0.901937
H -1.648436 -3.140255 0.002157
H -0.095479 -3.218255 0.904042
H -3.510756 1.331100 -0.892439
H -2.621232 2.637095 -0.001374
H -3.510711 1.332234 0.891259
H 4.079613 -1.409604 -0.000471
H 4.211672 1.103956 -0.000803


