%chk=000022784.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022784

0 1
 S    2.820400     -1.9999999E-04 -9.6799999E-02
 O    3.268200      -1.260400     -0.6727000    
 O    3.271700       1.259000     -0.6724000    
 O   -3.742400       1.097800      2.9899999E-02
 O   -3.742200      -1.097500      3.0600000E-02
 N    3.179000      8.9999998E-04   1.573700    
 N   -3.134100      9.9999997E-05  1.8900000E-02
 C    1.074600       0.000000     -6.2300000E-02
 C   0.3772000       1.208000     -4.9199998E-02
 C   0.3772000      -1.208100     -4.8300002E-02
 C   -1.714700      1.9999999E-04 -8.1000002E-03
 C   -1.017400       1.208100     -2.2100000E-02
 C   -1.017400      -1.207900     -2.1299999E-02
 H   0.9003000       2.160200     -5.3300001E-02
 H   0.9002000      -2.160400     -5.1600002E-02
 H   -1.527300       2.168100     -1.1000000E-02
 H   -1.527400      -2.167900     -9.4999997E-03
 H    3.567200     -0.8598000       1.978600    
 H    3.567400      0.8621000       1.977400    


%chk=000022784-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022784

0 1
S 2.880103 -0.000128 -0.051901
O 3.348331 -1.441058 -0.651911
O 3.348549 1.440221 -0.653113
O -3.843009 1.141216 -0.020997
O -3.843120 -1.140744 -0.020064
N 3.311594 0.000622 1.721662
N -3.243046 0.000206 -0.020923
C 0.990457 -0.000001 -0.021753
C 0.333059 1.240962 -0.029864
C 0.332938 -1.240907 -0.028869
C -1.752641 0.000136 -0.022808
C -1.076973 1.240146 -0.030279
C -1.077092 -1.239945 -0.029263
H 0.905613 2.173126 -0.060644
H 0.905408 -2.173143 -0.058918
H -1.652036 2.169452 -0.038031
H -1.652249 -2.169198 -0.036250
H 3.832198 -0.863987 1.942647
H 3.832415 0.865326 1.941779


