%chk=000077956.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077956

0 1
 S   8.9400001E-02 -0.1944000       1.351000    
 O   9.0099998E-02  -1.592900       1.754400    
 O   0.1123000      0.8533000       2.360300    
 N   -1.482800      -2.245100     -0.2673000    
 C   -1.323700      0.1110000      0.3633000    
 C    1.529300     -4.8000002E-03  0.3374000    
 C   -1.958500     -0.9169000     -0.3338000    
 C   -1.812000       1.414900      0.2807000    
 C    2.125900       1.238800      0.2431000    
 C    2.024900      -1.103900     -0.3390000    
 C   -3.081700     -0.6408000      -1.113500    
 C   -2.935300       1.691000     -0.4989000    
 C   -3.570100      0.6631000      -1.196000    
 C    3.259100       1.388700     -0.5564000    
 C    3.158100     -0.9541000      -1.138400    
 C    3.775100      0.2923000      -1.247100    
 H   -1.332000       2.236700      0.8044000    
 H    1.734300       2.104900      0.7673000    
 H    1.561500      -2.082600     -0.2737000    
 H   -3.586200      -1.432000      -1.662400    
 H   -3.314400       2.706600     -0.5654000    
 H   -4.444100      0.8783000      -1.803600    
 H    3.738600       2.359300     -0.6426000    
 H    3.559700      -1.807500      -1.677200    
 H    4.657000      0.4090000      -1.870200    
 H   -1.962900      -2.970300     -0.7844000    
 H  -0.6728000      -2.491400      0.2806000    


%chk=000077956-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000077956

0 1
S 0.105143 -0.185113 1.440242
O 0.099474 -1.762749 1.934967
O 0.175370 1.046309 2.513757
N -1.565619 -2.308754 -0.239424
C -1.407923 0.089105 0.342490
C 1.611932 0.019797 0.299420
C -2.007994 -1.000954 -0.357466
C -1.889360 1.408636 0.293796
C 2.234185 1.277689 0.274883
C 2.065160 -1.094840 -0.423369
C -3.114156 -0.657324 -1.200295
C -2.989667 1.709312 -0.534114
C -3.583083 0.664252 -1.288074
C 3.371191 1.429964 -0.552523
C 3.202752 -0.922025 -1.246451
C 3.848048 0.335703 -1.312868
H -1.406529 2.175514 0.910032
H 1.855289 2.092597 0.900648
H 1.563430 -2.063025 -0.333456
H -3.607532 -1.455649 -1.767701
H -3.376536 2.730658 -0.589749
H -4.436487 0.882847 -1.939957
H 3.884640 2.396106 -0.595860
H 3.585526 -1.768427 -1.826187
H 4.730843 0.460267 -1.949403
H -2.062205 -3.046908 -0.732196
H -0.947091 -2.541790 0.551457


