%chk=000020406.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020406

0 1
 S  -0.2494000      -2.139300     -1.4500000E-02
 O   0.9724000       1.810500       1.266800    
 O   -3.157800       1.381100      0.1386000    
 N  -0.6858000      0.5311000      0.3868000    
 N   -2.468000     -0.8307000     -0.1280000    
 C    1.702400     -0.1538000      7.9499997E-02
 C    3.087600      0.2126000      0.6526000    
 C    1.769900     -2.0999999E-03  -1.449500    
 C    1.373000      -1.579000      0.5389000    
 C   0.6400000      0.8019000      0.6443000    
 C    4.158400     -0.6915000      8.8399999E-02
 C    2.168200       1.404500      -1.837600    
 C   -1.132700     -0.6483000      0.1141000    
 C   -3.392600      0.1992000     -9.9200003E-02
 C   -4.785700     -0.2962000     -0.3811000    
 H    3.075200      9.9200003E-02   1.745600    
 H    3.354400       1.261900      0.4855000    
 H   0.7850000     -0.1818000      -1.897200    
 H    2.430500     -0.7370000      -1.920500    
 H    2.076200      -2.319500      0.1524000    
 H    1.386400      -1.645300       1.633100    
 H    4.023900      -1.746600      0.3348000    
 H    4.300200     -0.5888000     -0.9896000    
 H    5.118700     -0.4082000      0.5377000    
 H    1.544600       2.174000      -1.374400    
 H    3.218200       1.622700      -1.624900    
 H    2.051900       1.521000      -2.921800    
 H   -2.784100      -1.773700     -0.3379000    
 H   -5.468500      0.5536000     -0.4676000    
 H   -5.119000     -0.9410000      0.4368000    
 H   -4.803100     -0.8575000      -1.319600    


%chk=000020406-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020406

0 1
S -0.284327 -2.296282 0.283038
O 1.135614 1.548361 1.812608
O -3.025391 1.493029 -0.572284
N -0.592263 0.486946 0.687342
N -2.474174 -0.748881 -0.067576
C 1.781454 -0.211810 0.187609
C 3.225072 0.139358 0.670232
C 1.604907 -0.021068 -1.351953
C 1.491206 -1.683803 0.610627
C 0.776249 0.683986 0.972165
C 4.372561 -0.599604 -0.050268
C 1.827722 1.426245 -1.839674
C -1.136921 -0.630937 0.332975
C -3.372949 0.301026 -0.431572
C -4.806096 -0.194992 -0.614649
H 3.282728 -0.048584 1.759454
H 3.357588 1.230809 0.565325
H 0.592411 -0.349293 -1.651380
H 2.310756 -0.703112 -1.865701
H 2.113859 -2.381884 0.026842
H 1.683247 -1.827893 1.686726
H 4.302637 -1.698807 0.052606
H 4.407053 -0.360830 -1.128472
H 5.341679 -0.294108 0.384004
H 1.123885 2.126103 -1.354069
H 2.854162 1.778082 -1.633194
H 1.664030 1.491506 -2.930428
H -2.846733 -1.701515 -0.114329
H -5.356820 0.532574 -1.228530
H -5.304392 -0.262858 0.370306
H -4.858352 -1.188760 -1.095282


