%chk=000090464.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090464

0 1
 S    2.736400      0.3040000      7.5700000E-02
 O    3.214400     -0.1917000      -1.405700    
 O    3.098900       1.707200      0.1944000    
 O    3.196400     -0.6699000       1.051200    
 O   -3.862300       1.140300     -1.7300000E-02
 O   -3.789700      -1.053600     -4.3699998E-02
 N    1.056700      -2.239700      1.7999999E-02
 N   -3.218400      6.3400000E-02 -2.0600000E-02
 C   0.9885000      0.2031000      4.6999998E-02
 C   0.3320000      -1.027300      2.1700000E-02
 C   0.2511000       1.387100      5.0200000E-02
 C   -1.061900      -1.073800     -7.9999998E-04
 C   -1.799400      0.1102000      2.2000000E-03
 C   -1.142800       1.340600      2.7700000E-02
 H   0.7300000       2.361500      6.7299999E-02
 H   -1.553100      -2.044300     -2.0400001E-02
 H   -1.684800       2.282900      3.0300001E-02
 H   0.5589000      -3.120200     -2.6000000E-03
 H    2.066900      -2.243300      1.7899999E-02
 H    2.897100      0.3596000      -2.159200    


%chk=000090464-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090464

0 1
S 2.754940 0.358580 -0.002169
O 2.924755 0.310372 -1.848505
O 3.218337 1.812630 0.522378
O 3.464194 -0.981237 0.597641
O -3.978523 1.135604 -0.069664
O -3.884720 -1.140307 0.020527
N 1.005295 -2.286876 0.172413
N -3.330474 0.023622 -0.015795
C 0.905184 0.184964 0.039146
C 0.297978 -1.111481 0.090630
C 0.183237 1.391968 -0.020106
C -1.133250 -1.116300 0.069415
C -1.838541 0.090698 0.004686
C -1.219475 1.362924 -0.030698
H 0.727897 2.341313 -0.045583
H -1.687905 -2.058629 0.104195
H -1.823568 2.270215 -0.073783
H 0.512348 -3.176042 0.195015
H 2.025213 -2.264612 0.294819
H 3.891975 0.448693 -2.071264


