%chk=000080945.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080945

0 1
 S    1.770200      -1.049200     -8.9000002E-02
 O    1.036700       1.871800     -1.6899999E-02
 O    2.405100     -0.7486000       1.386400    
 O    1.636300      -2.492600     -0.2095000    
 O    2.524100     -0.2872000      -1.070800    
 N   -3.346900      -1.552100      9.4999997E-03
 C   0.1618000     -0.3628000     -4.1800000E-02
 C  -2.5900001E-02   1.019000     -1.1000000E-02
 C  -0.9410000      -1.216800     -3.4899998E-02
 C   -2.231700     -0.6889000      2.4999999E-03
 C   -1.316500       1.546800      2.6300000E-02
 C   -2.419400      0.6929000      3.3000000E-02
 C   0.7472000       3.267800      1.6200000E-02
 H  -0.8157000      -2.296100     -5.5900000E-02
 H   -1.541300       2.607400      5.1600002E-02
 H   -3.420700       1.115300      6.2300000E-02
 H   -4.282700      -1.169600      3.5999998E-02
 H   -3.212100      -2.554100     -1.3300000E-02
 H   0.2390000       3.553600      0.9435000    
 H   0.2007000       3.588900     -0.8772000    
 H    1.706900       3.795100      6.2000002E-03
 H    1.927900      -1.161400       2.144300    


%chk=000080945-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080945

0 1
S 1.717668 -1.210488 -0.025619
O 1.076334 1.702136 0.333205
O 2.479226 -0.449686 1.468546
O 1.562207 -2.781106 0.302282
O 2.515968 -0.725174 -1.342846
N -3.520151 -1.573659 -0.184821
C 0.001489 -0.429484 0.036740
C -0.115546 0.972085 0.152356
C -1.091373 -1.293710 -0.067358
C -2.406540 -0.743489 -0.081345
C -1.419754 1.515803 0.131662
C -2.542344 0.672115 0.007073
C 1.015239 3.161212 0.181164
H -0.918844 -2.374359 -0.126281
H -1.570359 2.595964 0.218697
H -3.543484 1.118098 -0.009340
H -4.459415 -1.187801 -0.195890
H -3.415403 -2.582209 -0.243020
H 0.433530 3.620552 1.002550
H 0.576972 3.431116 -0.797039
H 2.059877 3.500304 0.228721
H 2.366703 0.540980 1.308063


