%chk=000127139.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127139

0 1
 S   -6.219700     -0.2547000      6.8700001E-02
 O  -0.3422000     -0.3579000     -0.3983000    
 O   -6.783500     -9.4099998E-02  -1.264200    
 O   -6.637400      -1.374500      0.9006000    
 O  -0.2865000       1.644600      0.7945000    
 N   -6.451000       1.194600      0.9435000    
 N    5.894800      0.3611000     -0.3969000    
 N    7.882100     -0.8097000     -2.8400000E-02
 N    5.960800      -1.747500      0.7697000    
 C   -4.479300     -0.2855000     -6.9499999E-02
 C   -1.735100     -0.3340000     -0.2880000    
 C   -3.855800      0.3170000      -1.162200    
 C   -3.712600     -0.9126000      0.9125000    
 C   -2.465500      0.2924000      -1.272800    
 C   -2.322300     -0.9372000      0.8019000    
 C    1.739000      0.6333000      4.5800000E-02
 C   0.2959000      0.7261000      0.2006000    
 C    2.580600       1.171200       1.019400    
 C    2.281500      4.4999998E-03  -1.074900    
 C    4.507200      0.4514000     -0.2484000    
 C    3.964800       1.080300      0.8723000    
 C    3.665600     -8.6499996E-02  -1.221900    
 C    6.518700     -0.6825000      9.5899999E-02
 H   -4.432600      0.8167000      -1.935400    
 H   -4.176500      -1.382600       1.775100    
 H   -1.979700      0.7619000      -2.122400    
 H   -1.725000      -1.424100       1.566400    
 H    2.174400       1.661500       1.900300    
 H    1.651400     -0.4125000      -1.856100    
 H    4.612400       1.502400       1.636400    
 H    4.079000     -0.5754000      -2.100200    
 H   -6.858200       1.994000      0.4429000    
 H   -6.756000       1.117700       1.921500    
 H    8.433000     -0.1023000     -0.5025000    
 H    8.376300      -1.611700      0.3471000    
 H    6.536400      -2.509400       1.111500    
 H    4.964600      -1.811400      0.9474000    


%chk=000127139-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127139

0 1
S -6.425184 -0.159867 -0.137080
O -0.382670 0.150705 -0.213047
O -7.032913 1.217902 -0.760440
O -6.822240 -1.641113 -0.687201
O 0.069260 2.470553 -0.307792
N -6.843586 -0.201249 1.660350
N 6.043047 -0.113759 -0.350159
N 8.012558 -1.266787 0.081935
N 6.133378 -1.783129 1.403532
C -4.555728 -0.011999 -0.144434
C -1.794278 0.207678 -0.194642
C -3.988107 1.264594 -0.262015
C -3.797083 -1.192254 -0.062310
C -2.581123 1.385045 -0.287894
C -2.396336 -1.072354 -0.089787
C 1.897430 0.861887 -0.280919
C 0.487997 1.289697 -0.272495
C 2.903099 1.871991 -0.334352
C 2.297173 -0.502779 -0.256574
C 4.677095 0.162934 -0.287640
C 4.260119 1.531293 -0.345141
C 3.657575 -0.848812 -0.258699
C 6.671077 -1.037743 0.354980
H -4.627756 2.147906 -0.356634
H -4.287152 -2.168567 -0.001965
H -2.105068 2.360867 -0.377656
H -1.753061 -1.954768 -0.033826
H 2.588544 2.920477 -0.367571
H 1.530644 -1.282320 -0.245518
H 5.035892 2.301019 -0.397327
H 3.946918 -1.905954 -0.297199
H -7.277359 0.701649 1.916347
H -7.473242 -1.008431 1.807326
H 8.426683 -0.706910 -0.659196
H 8.513921 -2.072663 0.444094
H 6.732038 -2.255694 2.077182
H 5.158038 -1.634442 1.655669


