%chk=000082047.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082047

0 1
 S   2.0999999E-03  -1.724000     -8.9999996E-03
 O  -0.1414000      -2.448400      -1.263900    
 O   0.1044000      -2.460300       1.244100    
 O    4.749500       1.720300     -0.6370000    
 O   -4.740800       1.720300      0.6533000    
 N    3.969000      0.9099000       1.942400    
 N   -3.961300      0.9346000      -1.934100    
 C    1.407700     -0.7036000     -0.1882000    
 C   -1.423500     -0.6880000      0.1832000    
 C    2.126900     -0.3026000      0.9377000    
 C   -2.120700     -0.2904000     -0.9415000    
 C    1.811900     -0.2901000      -1.457700    
 C   -1.805800     -0.3022000       1.453800    
 C    3.250000      0.5119000      0.7942000    
 C   -3.242800      0.5242000     -0.7899000    
 C    2.935100      0.5245000      -1.601000    
 C   -2.927800      0.5125000       1.605300    
 C    3.654100      0.9256000     -0.4752000    
 C   -3.646300      0.9258000      0.4835000    
 H    1.815100     -0.6157000       1.931300    
 H   -1.806600     -0.5945000      -1.936000    
 H    1.263500     -0.5826000      -2.348700    
 H   -1.255300     -0.6047000       2.339000    
 H    3.243600      0.8445000      -2.592700    
 H   -3.229600      0.8192000       2.603300    
 H    4.839200       1.416400       1.884600    
 H    3.655300      0.5928000       2.851100    
 H   -4.775200       1.526100      -1.831100    
 H   -3.662200      0.6404000      -2.854200    
 H    5.069200       2.028200      0.2244000    
 H   -4.864300       1.892800       1.602500    


%chk=000082047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000082047

0 1
S 0.028316 -1.755199 -0.015311
O -0.148956 -2.524485 -1.453421
O 0.243199 -2.540530 1.409768
O 4.869552 1.816570 -0.574128
O -4.900288 1.721060 0.516683
N 4.296345 0.927540 1.868556
N -4.156809 0.867879 -1.910873
C 1.512751 -0.603395 -0.199416
C -1.485801 -0.644381 0.193781
C 2.258982 -0.307239 0.954151
C -2.208792 -0.319052 -0.964069
C 1.860056 -0.152683 -1.485939
C -1.842333 -0.250849 1.490314
C 3.393498 0.513053 0.807530
C -3.367677 0.489166 -0.835706
C 2.993270 0.673589 -1.632414
C -2.998425 0.557512 1.618531
C 3.750019 1.009555 -0.485972
C -3.736615 0.923707 0.479193
H 1.972716 -0.736613 1.920874
H -1.896473 -0.719528 -1.934980
H 1.270786 -0.467175 -2.353559
H -1.270252 -0.588243 2.358644
H 3.302353 1.050503 -2.610841
H -3.323063 0.891242 2.612236
H 4.867992 0.174680 2.267657
H 3.871825 1.510589 2.597514
H -4.984260 1.433495 -1.740165
H -3.943496 0.558310 -2.853632
H 5.195425 1.873175 0.387244
H -5.130844 1.980648 1.441249


