%chk=000062020.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062020

0 1
 S  -0.2043000      0.1857000      0.1034000    
 O    1.237300      -1.724600     -0.9411000    
 N    2.489400      3.5700001E-02 -7.9200000E-02
 C    3.797300     -0.5052000     -0.4295000    
 C    2.517700       1.331800      0.6006000    
 C    4.380900      -1.375500      0.6772000    
 C    2.466100       2.500600     -0.3759000    
 C    1.292000     -0.6365000     -0.3720000    
 C    5.756200      -1.926700      0.3286000    
 C    2.517300       3.852700      0.3215000    
 C   -1.441700      -1.007300     -0.4515000    
 C   -2.843800     -0.5463000     -0.1627000    
 C   -3.525100      0.2088000      -1.108400    
 C   -3.440000     -0.8812000       1.045900    
 C   -4.825500      0.6364000     -0.8407000    
 C   -4.740400     -0.4536000       1.313500    
 C   -5.433300      0.3052000      0.3703000    
 H    4.475000      0.3179000     -0.6831000    
 H    3.681300      -1.114300      -1.334000    
 H    3.444100       1.388000       1.186700    
 H    1.714900       1.410000       1.339100    
 H    4.456100     -0.7980000       1.606200    
 H    3.702100      -2.211200      0.8868000    
 H    3.306400       2.435000      -1.077600    
 H    1.556400       2.450600     -0.9848000    
 H    6.469500      -1.114800      0.1548000    
 H    6.136200      -2.545200       1.147600    
 H    5.711800      -2.545100     -0.5735000    
 H    3.439100       3.958100      0.9022000    
 H    2.484000       4.661400     -0.4150000    
 H    1.666900       3.974000      0.9999000    
 H   -1.326000      -1.179000      -1.528300    
 H   -1.263600      -1.972000      3.8400002E-02
 H   -3.061400      0.4735000      -2.054600    
 H   -2.909700      -1.470900       1.788400    
 H   -5.364800       1.227600      -1.575000    
 H   -5.213600     -0.7111000       2.256600    
 H   -6.445800      0.6383000      0.5788000    


%chk=000062020-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000062020

0 1
S -0.095373 0.185820 1.651320
O 0.802505 -1.622223 -0.247842
N 2.266497 0.135273 0.217404
C 3.253509 -0.379815 -0.767781
C 2.605269 1.373416 0.954674
C 4.247878 -1.388617 -0.148044
C 2.170926 2.663333 0.218493
C 1.094251 -0.565367 0.381627
C 5.290529 -1.867418 -1.180617
C 2.575653 3.929557 1.002622
C -1.489502 -1.116464 1.482653
C -2.620847 -0.666033 0.590991
C -2.532201 -0.838530 -0.816250
C -3.790091 -0.077907 1.138321
C -3.590969 -0.427666 -1.654852
C -4.850258 0.333695 0.299309
C -4.753415 0.160047 -1.100736
H 3.797707 0.488728 -1.186153
H 2.698360 -0.865541 -1.589353
H 3.701811 1.381649 1.109425
H 2.143290 1.339591 1.958987
H 4.759984 -0.920433 0.716041
H 3.674749 -2.249758 0.242093
H 2.628834 2.680313 -0.790249
H 1.074763 2.638645 0.074802
H 5.887895 -1.022204 -1.572507
H 5.990434 -2.593215 -0.729515
H 4.800827 -2.362437 -2.039862
H 3.671621 3.982451 1.147493
H 2.262829 4.843228 0.466716
H 2.100980 3.947161 2.001467
H -0.972993 -2.003555 1.079081
H -1.811082 -1.299551 2.519995
H -1.627972 -1.292832 -1.237929
H -3.869138 0.057252 2.224417
H -3.513558 -0.568894 -2.739063
H -5.749149 0.784611 0.735201
H -5.575552 0.476491 -1.752779


