%chk=000089618.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089618

0 1
 S    1.566400       1.086100     -0.7799000    
 O    1.637100      0.3172000      -2.016000    
 O    1.946900       2.492300     -0.7924000    
 O    4.454600      -1.763900      0.1992000    
 O   -4.146700      -1.357800      0.1699000    
 O   -2.525300      -2.195200      -1.050400    
 N    2.486000      0.2829000      0.4160000    
 N   -2.983200      -1.302100     -0.2968000    
 C  -5.5599999E-02  0.9784000     -0.1430000    
 C    2.204300      -1.124400      0.7339000    
 C  -0.8635000     -0.1106000     -0.4706000    
 C  -0.5442000       1.982900      0.6926000    
 C   -2.159800     -0.1950000      3.7500001E-02
 C    3.471700      -1.798700       1.226200    
 C   -1.840400       1.898400       1.200700    
 C   -2.648200      0.8095000      0.8731000    
 H    2.873500      0.8463000       1.183300    
 H    1.843500      -1.643400     -0.1597000    
 H    1.435100      -1.171000       1.510700    
 H  -0.4697000     -0.8880000      -1.120300    
 H   6.9100000E-02   2.836500      0.9669000    
 H    3.282500      -2.842700       1.493800    
 H    3.880400      -1.285300       2.102300    
 H   -2.220000       2.679700       1.852600    
 H   -3.652600      0.7771000       1.287600    
 H    4.093700      -2.239100     -0.5686000    


%chk=000089618-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089618

0 1
S 1.621357 0.648815 -0.201752
O 1.750055 -0.460510 -1.411774
O 2.256252 2.142572 -0.273499
O 4.359491 -0.975066 -0.437870
O -4.668935 -0.850315 -0.335529
O -2.919848 -2.115594 -1.076515
N 2.208105 -0.119583 1.416861
N -3.411759 -1.054663 -0.535075
C -0.233338 0.837459 0.094815
C 2.604301 -1.548729 1.261836
C -1.083104 -0.187738 -0.334536
C -0.676833 2.022594 0.706008
C -2.461136 0.009325 -0.104518
C 4.043381 -1.781007 0.734194
C -2.066729 2.182306 0.912226
C -2.968319 1.172834 0.512688
H 3.015793 0.490339 1.664538
H 1.870913 -2.029218 0.587149
H 2.483658 -2.013635 2.259851
H -0.715566 -1.082153 -0.845960
H 0.040468 2.800372 0.987090
H 4.172467 -2.867801 0.539351
H 4.784459 -1.478169 1.495720
H -2.443890 3.095071 1.382530
H -4.046897 1.271475 0.660779
H 3.621254 -1.038880 -1.110010


