%chk=000029878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029878

0 1
 S   -3.483200      -1.147100     -3.0000001E-04
 O    3.819600      -1.373000      1.4000000E-03
 O   -2.319300       1.210100      7.9999998E-04
 N  -0.9352000     -0.6940000     -8.9999998E-04
 C   0.3614000     -0.1789000     -1.5000000E-03
 C    1.455500      -1.044200     -6.9999998E-04
 C   0.5637000       1.201300     -1.1000000E-03
 C    2.751900     -0.5292000      3.0000001E-04
 C    1.860000       1.716300       0.000000    
 C    2.954000      0.8510000      6.9999998E-04
 C   -2.139300      1.4000000E-03  1.9999999E-04
 C   -4.889200     -1.3600000E-02  1.2000001E-03
 H    1.306100      -2.121500     -6.0000003E-04
 H  -0.2350000       1.930400     -1.5000000E-03
 H    2.018600       2.790800      3.9999999E-04
 H   -1.010500      -1.708500     -1.1000000E-03
 H    3.958800       1.264900      1.6000000E-03
 H    4.637500     -0.8464000      2.0999999E-03
 H   -5.818000     -0.5904000      1.2000001E-03
 H   -4.872900      0.6182000     -0.8910000    
 H   -4.872100      0.6169000      0.8942000    


%chk=000029878-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029878

0 1
S -3.573276 -1.269124 0.000337
O 3.807025 -1.461499 -0.000041
O -2.349433 1.214118 0.000562
N -0.938379 -0.681190 0.000515
C 0.366398 -0.104456 0.000377
C 1.459886 -1.006100 0.000233
C 0.591705 1.298899 0.000377
C 2.776253 -0.504514 0.000094
C 1.920449 1.770943 0.000237
C 3.023488 0.889605 0.000096
C -2.159136 -0.025748 0.000731
C -4.985195 -0.030683 0.000181
H 1.312081 -2.091644 0.000233
H -0.253788 1.987548 0.000491
H 2.099238 2.851605 0.000236
H -0.972044 -1.704396 0.000439
H 4.049480 1.277799 -0.000016
H 4.692765 -1.021541 -0.000137
H -5.909588 -0.627456 0.000005
H -4.922624 0.596215 -0.900053
H -4.922903 0.596120 0.900500


