%chk=000050196.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050196

0 1
 S   -1.205700       1.663300       1.139400    
 S    2.550800       1.251000      -1.125100    
 O   -2.768900      -2.383800     -0.6044000    
 O   -5.151900      -1.131100     -0.8277000    
 O    1.390400      -1.544000       2.328600    
 O   -5.286400      0.8097000      -2.029800    
 O    4.056600      -1.740100      -1.116000    
 N   -2.907200     -0.2316000      0.3396000    
 N   2.7400000E-02  -1.077100      0.4754000    
 N    2.933700      -2.102300     -0.3591000    
 N    4.452900       2.034000      0.4405000    
 N    3.837400       3.576300      -1.242500    
 C   -2.052300      9.4800003E-02   1.468700    
 C   -1.277400      -1.197300       1.124800    
 C   -2.443100      -1.480100      0.1288000    
 C   -3.821200      0.6256000     -0.1671000    
 C   -2.758800       2.620000      0.9825000    
 C   -3.803300       1.936400      0.1320000    
 C    1.219800      -1.264600       1.152900    
 C   -4.824800      0.1458000      -1.118500    
 C    2.430800      -1.085600      0.2743000    
 C    3.071900      0.2239000      0.1172000    
 C    4.069200      0.7713000      0.8483000    
 C    3.720200       2.388000     -0.5919000    
 C    4.540100      -2.902400      -1.771100    
 H   -2.581100      5.2299999E-02   2.428500    
 H   -1.260300      -1.923900       1.946600    
 H   7.8400001E-02 -0.8405000     -0.5130000    
 H   -2.500100       3.581600      0.5281000    
 H   -3.166800       2.818000       1.978800    
 H   -4.559300       2.598700     -0.2849000    
 H   -5.824100      -1.489400      -1.445800    
 H    4.569300      0.3164000       1.692700    
 H    4.515400       4.276000     -0.9593000    
 H    3.250800       3.811000      -2.036500    
 H    3.775700      -3.307100      -2.441600    
 H    4.836000      -3.658000      -1.036700    
 H    5.416400      -2.626800      -2.363600    


%chk=000050196-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050196

0 1
S -2.235635 1.389796 -1.333866
S 5.332632 0.479689 -0.507275
O -1.977001 -2.423248 1.062699
O -4.962623 -2.132886 1.714486
O 1.302118 0.951662 2.077666
O -6.404106 -2.022417 -0.111171
O 3.286825 -0.472094 -2.024242
N -3.215774 -0.352618 0.618714
N 0.072605 0.015478 0.339002
N 2.154996 -0.285065 -1.154144
N 5.458861 1.546234 1.964141
N 7.579676 1.403326 0.887007
C -2.395193 0.870695 0.484769
C -1.168314 0.060477 1.059787
C -2.108224 -1.197699 0.961904
C -4.471093 -0.536621 0.007420
C -4.124362 1.433560 -1.606146
C -4.898213 0.294503 -0.995347
C 1.258350 0.450083 0.914229
C -5.377282 -1.623738 0.486827
C 2.485837 0.266403 0.019290
C 3.790607 0.672144 0.493231
C 4.128321 1.247424 1.729192
C 6.222658 1.214621 0.915064
C 2.826098 -1.093684 -3.279571
H -2.759684 1.725624 1.073185
H -0.944158 0.351359 2.101390
H 0.138503 -0.382383 -0.605405
H -4.248594 1.432157 -2.703636
H -4.495293 2.406785 -1.233529
H -5.907577 0.112176 -1.384372
H -5.553982 -2.886715 1.981856
H 3.381494 1.457658 2.493463
H 8.018729 1.814056 1.709217
H 8.148403 1.142597 0.086881
H 2.101128 -0.435890 -3.789516
H 2.370925 -2.078084 -3.075239
H 3.738844 -1.206964 -3.884862


