%chk=000118833.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118833

0 1
 S    3.359100     -2.9500000E-02 -7.6600000E-02
 O    3.814700      0.5235000       1.393000    
 O    3.799300      -1.414300     -0.1641000    
 O    3.773400      0.9449000      -1.074100    
 N   -2.586200      4.4999998E-03  1.5600000E-02
 C   -1.176100     -3.1999999E-03 -6.0000001E-03
 C   -3.320400       1.178300     -0.4134000    
 C   -3.319900      -1.166100      0.4539000    
 C  -0.4790000       1.123400     -0.4421000    
 C  -0.4785000      -1.137900      0.4085000    
 C    1.613300     -1.9099999E-02 -4.9400002E-02
 C   -3.393400       2.215400      0.6943000    
 C   -3.438300      -2.189700     -0.6625000    
 C   0.9157000       1.115400     -0.4639000    
 C   0.9162000      -1.145700      0.3869000    
 H   -2.925800       1.606000      -1.342100    
 H   -4.349200      0.8927000     -0.6703000    
 H   -2.903700      -1.608600       1.366000    
 H   -4.337200     -0.8715000      0.7446000    
 H  -0.9598000       2.035800     -0.7764000    
 H  -0.9590000      -2.044100      0.7597000    
 H   -3.875100       1.798400       1.585500    
 H   -2.408100       2.581600      0.9956000    
 H   -3.984400       3.076200      0.3651000    
 H   -3.939400      -1.757100      -1.535400    
 H   -2.466100      -2.564500     -0.9947000    
 H   -4.030300      -3.046800     -0.3257000    
 H    1.437800       2.006800     -0.8004000    
 H    1.439400      -2.037300      0.7208000    
 H    3.528500     -2.7300000E-02   2.159200    


%chk=000118833-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118833

0 1
S 3.458553 -0.105523 -0.030126
O 3.728897 0.447322 1.736321
O 3.997141 -1.628912 -0.154630
O 4.045188 1.054180 -0.999998
N -2.597796 0.000933 -0.007439
C -1.206415 -0.022043 -0.010061
C -3.358029 1.186668 -0.461006
C -3.394422 -1.157090 0.455670
C -0.442327 1.140112 -0.376328
C -0.480499 -1.211229 0.347009
C 1.619556 -0.069416 -0.014704
C -3.572210 2.243938 0.647081
C -3.656278 -2.208308 -0.647892
C 0.959316 1.119253 -0.377309
C 0.921007 -1.233915 0.354668
H -2.852433 1.639323 -1.333896
H -4.339689 0.832901 -0.826851
H -2.896191 -1.625394 1.324544
H -4.359540 -0.768806 0.830495
H -0.944413 2.071593 -0.647136
H -1.012682 -2.127829 0.610772
H -4.128696 1.813562 1.499049
H -2.609550 2.623992 1.030506
H -4.152338 3.099686 0.255420
H -4.206255 -1.760807 -1.495265
H -2.711530 -2.622735 -1.040286
H -4.261684 -3.042682 -0.248400
H 1.534280 2.005787 -0.663203
H 1.467050 -2.145809 0.616614
H 4.719490 0.491448 1.877982


