%chk=000096827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096827

0 1
 S    2.202400      -1.152200     -0.1127000    
 O    1.680900       1.805500      0.1192000    
 O   -2.880800      -1.254800     -0.3735000    
 O    2.059700      -2.426200     -0.8013000    
 O    3.214200     -0.2012000     -0.5481000    
 N    2.405700      -1.445900       1.557600    
 N   -3.104200       1.540400     -0.1413000    
 C   0.6491000     -0.3479000     -0.1198000    
 C   0.5607000       1.039300     -3.4000000E-03
 C  -0.5109000      -1.112700     -0.2440000    
 C   -1.759100     -0.4900000     -0.2518000    
 C   -1.847300      0.8972000     -0.1353000    
 C  -0.6874000       1.661900     -1.1100000E-02
 C    1.492600       3.214700      0.2325000    
 C   -3.475600      -1.728100      0.8328000    
 H  -0.4608000      -2.195100     -0.3292000    
 H  -0.8209000       2.735200      7.6099999E-02
 H    2.328200      -2.416800       1.884300    
 H    3.115500     -0.8951000       2.055900    
 H   -3.160600       2.546800     -5.9999999E-02
 H   -3.948800      0.9944000     -0.2474000    
 H   0.9449000       3.477900       1.143900    
 H    1.034900       3.635700     -0.6692000    
 H    2.486900       3.664800      0.3211000    
 H   -4.377500      -2.289000      0.5728000    
 H   -3.758200     -0.8935000       1.482100    
 H   -2.788100      -2.396900       1.360400    


%chk=000096827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096827

0 1
S 1.912061 -1.374458 0.227242
O 1.733796 1.637951 0.317618
O -3.345225 -0.800923 0.109970
O 1.443209 -2.910047 0.501898
O 2.838865 -1.067253 -1.075282
N 2.710789 -0.799261 1.781818
N -3.203483 1.852144 0.016264
C 0.372129 -0.327498 0.233084
C 0.450506 1.078855 0.213248
C -0.858187 -1.010548 0.212714
C -2.042112 -0.266414 0.141386
C -2.002549 1.167356 0.093568
C -0.746226 1.826998 0.139483
C 1.880599 3.073427 0.059593
C -3.464355 -2.260622 0.153220
H -0.842360 -2.104415 0.253894
H -0.719183 2.920839 0.129503
H 3.491002 -1.441936 1.999416
H 3.009698 0.179724 1.627081
H -3.236587 2.865668 -0.022706
H -4.067659 1.315824 -0.003208
H 1.388445 3.672915 0.849521
H 1.468601 3.338918 -0.931772
H 2.964210 3.259105 0.073377
H -4.543986 -2.467571 0.124400
H -3.028111 -2.666079 1.085967
H -2.968389 -2.724295 -0.720696


