%chk=000084073.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084073

0 1
 S   -2.704800      0.3580000     -0.4936000    
 O   0.1556000       2.577200     -0.6511000    
 O   5.6400001E-02   1.791700       1.474300    
 O    4.156200     -0.5177000       1.498600    
 O    4.324000      -1.780500     -0.3841000    
 N    2.863600      0.1978000      -1.695300    
 N   -6.326400      -1.274800      0.3015000    
 C   8.4100001E-02  0.1950000     -0.3629000    
 C    1.314700     -0.6117000      0.1081000    
 C    2.670300      1.9900000E-02 -0.2589000    
 C   -1.209100     -0.5347000      4.0100001E-02
 C   9.4300002E-02   1.581000      0.2683000    
 C    3.797900     -0.8664000      0.2347000    
 C   -3.935200     -0.8155000      0.1167000    
 C   -5.341400     -0.3194000     -0.1963000    
 H   0.1072000      0.2950000      -1.454800    
 H    1.259800      -1.624400     -0.3147000    
 H    1.273600     -0.7404000       1.198500    
 H    2.782000       1.002600      0.2134000    
 H   -1.222100      -1.531700     -0.4135000    
 H   -1.254800     -0.6545000       1.128500    
 H    2.666800     -0.6771000      -2.180700    
 H    2.190100      0.8734000      -2.053200    
 H   -3.762200      -1.787900     -0.3575000    
 H   -3.806300     -0.9319000       1.198500    
 H   -5.528500      0.6526000      0.2738000    
 H   -5.484400     -0.2004000      -1.276100    
 H   0.1645000       3.463200     -0.2303000    
 H    4.880800      -1.082800       1.841800    
 H   -6.161400      -2.188100     -0.1203000    
 H   -6.201900      -1.403700       1.305100    


%chk=000084073-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000084073

0 1
S -2.619651 -1.686657 -1.382256
O -0.399156 1.818824 -0.316636
O -1.451606 0.499830 1.270323
O 3.741257 -0.572350 1.572635
O 4.749546 0.028579 -0.429792
N 2.334185 0.812283 -1.535741
N -5.514647 0.497764 0.792763
C -0.099461 -0.579599 -0.516602
C 1.330357 -0.876270 0.035095
C 2.305004 0.332885 -0.156123
C -0.982830 -1.839330 -0.432466
C -0.736056 0.572512 0.245890
C 3.716560 -0.067650 0.268998
C -3.862070 -1.246034 0.003332
C -4.558038 0.112434 -0.259866
H 0.017643 -0.269774 -1.569952
H 1.726011 -1.735096 -0.539639
H 1.289175 -1.159806 1.102829
H 1.990116 1.127637 0.557009
H -0.457929 -2.691204 -0.896497
H -1.220337 -2.097621 0.613219
H 3.267963 0.887282 -1.945847
H 1.695022 1.580963 -1.737993
H -4.596946 -2.069126 0.052476
H -3.289833 -1.203200 0.945107
H -3.786488 0.897754 -0.344312
H -5.090330 0.083471 -1.228684
H -0.828323 2.544666 0.214672
H 4.675506 -0.815854 1.815093
H -6.352847 -0.087526 0.852260
H -5.088398 0.664012 1.709305


