%chk=000090320.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090320

0 1
 S   -5.450500     -0.3465000     -6.5600000E-02
 O  -0.8362000      -2.483100     -4.7899999E-02
 O   -5.891800     -0.3873000       1.508100    
 O   -5.971600      0.8941000     -0.6207000    
 O   -5.791500      -1.627800     -0.6637000    
 N    2.525900       1.370500      1.4700000E-02
 C  -0.9044000     -6.8099998E-02 -2.6200000E-02
 C   -1.685300       1.112000     -2.1299999E-02
 C    1.117900       1.283900      2.9000000E-03
 C    3.541300      0.3947000      1.4300000E-02
 C   0.4962000      3.5000000E-02 -1.4000000E-02
 C   -3.085700       1.008900     -3.3500001E-02
 C   -1.546900      -1.316900     -4.3000001E-02
 C   -3.707500     -0.2400000     -5.0200000E-02
 C   -1.042600       2.360700     -4.1999999E-03
 C   0.3499000       2.444500      7.8999996E-03
 C    4.038200     -0.1036000       1.222000    
 C    4.058700     -8.1500001E-02  -1.193800    
 C   -2.939500      -1.400700     -5.4900002E-02
 C    5.044100      -1.070100       1.221500    
 C    5.064300      -1.048100      -1.194300    
 C    3.508500      0.3826000       2.531900    
 C    3.551300      0.4292000      -2.503300    
 C    5.557100      -1.542400      1.3300000E-02
 H    1.120200     -0.8540000     -9.9999997E-05
 H    2.888700       2.319300      2.7400000E-02
 H   -3.685600       1.916800     -2.2000000E-02
 H   -1.622800       3.281200     -9.9999997E-05
 H   0.8217000       3.423700      2.1000000E-02
 H   -3.408800      -2.381100     -5.9900001E-02
 H    5.438700      -1.467100       2.153000    
 H    5.474500      -1.427900      -2.126300    
 H    4.085800     -1.1900000E-02   3.375400    
 H    3.563200       1.474800       2.591000    
 H    2.469800      6.3699998E-02   2.665900    
 H    3.607700       1.522300      -2.541400    
 H    4.142300      4.9699999E-02  -3.344100    
 H    2.514800      0.1139000      -2.660500    
 H    6.339700      -2.295400      1.3100000E-02
 H   1.2700000E-02  -2.356200     -0.4997000    
 H   -5.649500      0.4098000       2.035900    


%chk=000090320-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090320

0 1
S -5.493461 -0.286451 0.254104
O -0.825712 -2.529460 0.175418
O -5.610638 -0.324761 2.114299
O -6.156362 1.092736 -0.273539
O -6.022917 -1.713113 -0.298822
N 2.607452 1.455452 -0.294885
C -0.836994 -0.039434 0.003801
C -1.646892 1.161817 -0.050436
C 1.215749 1.317098 -0.212559
C 3.565751 0.392782 -0.159247
C 0.583818 0.064042 -0.083565
C -3.069547 1.082785 0.038290
C -1.515812 -1.312254 0.127690
C -3.638431 -0.178164 0.161751
C -0.979451 2.424573 -0.195813
C 0.404062 2.507382 -0.270735
C 3.722068 -0.274216 1.094320
C 4.384296 0.063416 -1.282377
C -2.907786 -1.389004 0.210189
C 4.684882 -1.310583 1.184738
C 5.347217 -0.964026 -1.141567
C 2.921817 0.133832 2.315822
C 4.222879 0.799711 -2.600571
C 5.490880 -1.658160 0.079570
H 1.224043 -0.826799 -0.082276
H 2.951993 2.343595 -0.664812
H -3.691522 1.982134 -0.006133
H -1.586198 3.335797 -0.241173
H 0.894566 3.483532 -0.367560
H -3.404960 -2.358850 0.291018
H 4.815522 -1.829703 2.141441
H 5.977401 -1.227050 -1.999032
H 3.380008 -0.267295 3.235293
H 2.862423 1.233633 2.401948
H 1.876990 -0.229291 2.272244
H 4.599593 1.840925 -2.543182
H 4.787554 0.296373 -3.402942
H 3.162356 0.854507 -2.907214
H 6.234423 -2.457167 0.172571
H 0.151223 -2.405941 0.088709
H -6.569282 -0.502802 2.343825


