%chk=000064434.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064434

0 1
 S   -4.458400       1.114100      1.0900000E-02
 S   -5.859400     -0.4431000      1.2000001E-03
 O   -7.301200      0.3169000      1.9500000E-02
 O   -5.734000      -1.131800      -1.269100    
 O   -5.717800      -1.161700       1.252900    
 N  -0.4524000      0.4631000     -2.3100000E-02
 C    2.000000      0.5963000      8.7000001E-03
 C    3.394600      -1.138600       1.221100    
 C    3.446100      -1.025900      -1.296000    
 C    4.526200      0.7963000      6.9200002E-02
 C    2.069500     -0.3565000       1.225600    
 C    2.120800     -0.2441000      -1.284600    
 C    3.197900       1.573000      7.6700002E-02
 C    3.493300      -1.959800     -7.5300001E-02
 C    4.568000     -0.1467000       1.283100    
 C    4.619200     -3.4600001E-02  -1.221300    
 C   0.6805000       1.372600      1.6500000E-02
 C   -1.712900       1.195000     -5.7999999E-03
 C   -2.880000      0.2156000     -9.9999998E-03
 H    3.431500      -1.808800       2.087200    
 H    3.519800      -1.616100      -2.216400    
 H    5.365400       1.499100      0.1179000    
 H    1.240800      -1.075400       1.217600    
 H    1.982700      0.2137000       2.159600    
 H    2.067800      0.4057000      -2.167600    
 H    1.308100     -0.9731000      -1.377600    
 H    3.136200       2.187200      0.9844000    
 H    3.171900       2.265700     -0.7745000    
 H    4.425700      -2.537700     -8.2099997E-02
 H    2.670400      -2.683400     -0.1244000    
 H    4.518100      0.4352000       2.211600    
 H    5.519200     -0.6927000       1.300500    
 H    5.571300     -0.5786000      -1.248500    
 H    4.606100      0.6281000      -2.095400    
 H   0.6485000       2.053800     -0.8437000    
 H   0.6292000       1.990400      0.9222000    
 H  -0.4250000     -0.1079000     -0.8654000    
 H   -1.773000       1.853100     -0.8818000    
 H   -1.763000       1.820700      0.8943000    
 H   -2.837300     -0.4379000      0.8681000    
 H   -2.851000     -0.4158000     -0.9047000    
 H   -7.451400      0.9186000      0.7860000    


%chk=000064434-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064434

0 1
S -4.150683 -0.934162 -0.318885
S -3.386877 0.206664 1.814630
O -3.599080 2.036572 1.369172
O -4.330313 -0.074408 3.099888
O -1.780888 -0.018612 1.936117
N -0.642515 0.885024 -1.668552
C 1.519316 0.580341 -0.310514
C 2.354503 -1.571863 0.769230
C 3.656326 -0.537438 -1.147986
C 3.633849 0.587064 1.125849
C 1.098824 -0.763041 0.345801
C 2.396809 0.275066 -1.561032
C 2.374614 1.391968 0.708837
C 3.216045 -1.872500 -0.487831
C 3.190984 -0.747226 1.784246
C 4.493027 0.288358 -0.133014
C 0.277279 1.452253 -0.678908
C -2.068530 0.730021 -1.435179
C -2.439657 -0.746508 -1.052219
H 2.034526 -2.523402 1.237688
H 4.266230 -0.748634 -2.049037
H 4.226355 1.182105 1.848751
H 0.505796 -1.355570 -0.380028
H 0.444466 -0.570574 1.219977
H 2.703074 1.224200 -2.049901
H 1.811941 -0.309527 -2.302086
H 1.762610 1.624030 1.604287
H 2.677552 2.360763 0.258563
H 4.108817 -2.466321 -0.206593
H 2.633169 -2.479817 -1.210044
H 2.589175 -0.541818 2.691990
H 4.080047 -1.326918 2.104584
H 5.403313 -0.275648 0.153296
H 4.828732 1.237200 -0.598717
H 0.659151 2.435427 -1.041662
H -0.304840 1.639924 0.241994
H -0.282483 0.716354 -2.608476
H -2.656371 1.016221 -2.328755
H -2.371914 1.408559 -0.617917
H -1.707046 -1.170419 -0.344118
H -2.457014 -1.371777 -1.964085
H -4.056317 2.472069 2.148138


