%chk=000128878.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128878

0 1
 S    2.463400      -1.858200       1.171200    
 O   -6.062300      6.6699997E-02 -0.8204000    
 O   -5.133700      0.7963000       1.119300    
 N    3.820900      0.8393000     -0.4200000    
 N    1.595600       1.097500     -5.6499999E-02
 N    3.131000       2.798000      0.6257000    
 C    1.798500     -0.2084000     -0.7744000    
 C    3.329400     -0.4237000     -0.9050000    
 C    1.177200      -1.379700     -1.2400000E-02
 C    3.799100      -1.569400     -1.4400000E-02
 C  -0.1482000      -1.087100      0.6707000    
 C   -1.248900     -0.6388000     -0.2941000    
 C    2.799500       1.603500      5.9500001E-02
 C   -2.620000     -0.3820000      0.3377000    
 C   -3.694200      4.9999999E-03 -0.6782000    
 C   -5.007500      0.3409000     -8.8000000E-03
 H    1.340100     -0.1118000      -1.766500    
 H    3.638100     -0.5756000      -1.944300    
 H    1.051500      -2.225500     -0.6993000    
 H    3.920000      -2.482300     -0.6065000    
 H    4.742600      -1.363600      0.4999000    
 H  -0.4942000      -1.992800       1.186700    
 H  -3.0099999E-02 -0.3220000       1.448900    
 H    4.805300       1.069600     -0.3603000    
 H  -0.9376000      0.2775000     -0.8091000    
 H   -1.362600      -1.405300      -1.071500    
 H   -2.944500      -1.277800      0.8818000    
 H   -2.516900      0.4122000       1.087800    
 H   -3.850700     -0.8324000      -1.367800    
 H   -3.381900      0.8789000      -1.259600    
 H    2.422400       3.413400       1.010000    
 H    4.094900       3.109300      0.6761000    
 H   -6.918500      0.2794000     -0.3913000    


%chk=000128878-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128878

0 1
S 2.549372 -1.811557 1.300598
O -5.996462 0.619161 -0.910640
O -5.332380 0.081054 1.246840
N 3.895655 0.875188 -0.407820
N 1.588573 1.118927 -0.283943
N 2.975471 2.847113 0.623009
C 1.832511 -0.236110 -0.856878
C 3.414993 -0.427852 -0.932868
C 1.209442 -1.374267 0.006884
C 3.836868 -1.642800 -0.069998
C -0.118405 -1.015630 0.691041
C -1.236013 -0.666685 -0.319800
C 2.772272 1.629776 -0.004372
C -2.589036 -0.420357 0.382143
C -3.690774 -0.014694 -0.614389
C -5.038597 0.214997 0.039103
H 1.385888 -0.277340 -1.869149
H 3.763247 -0.570866 -1.973140
H 1.089249 -2.280757 -0.619736
H 3.836566 -2.564919 -0.677644
H 4.830896 -1.520416 0.392412
H -0.441658 -1.864800 1.326359
H 0.053648 -0.143916 1.348114
H 4.759667 0.906853 0.138297
H -0.934650 0.241860 -0.876229
H -1.347433 -1.487357 -1.060546
H -2.904627 -1.328545 0.930780
H -2.472806 0.373887 1.144117
H -3.825236 -0.787933 -1.397241
H -3.414682 0.910094 -1.158098
H 2.148445 3.354154 0.926811
H 3.846069 3.356692 0.500654
H -6.868373 0.758144 -0.449771


