%chk=000079649.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079649

0 1
 O    2.655200     -0.3945000     -0.2004000    
 O    1.695800       1.532500      0.6299000    
 N   -2.129900     -0.1346000     -0.2241000    
 C  -0.9039000      0.5591000      0.1502000    
 C   -3.303900      0.6668000      0.1271000    
 C   -2.199100      -1.446100      0.4231000    
 C   0.3149000     -0.2815000     -0.2186000    
 C   -3.253500       2.033700     -0.5343000    
 C   -3.440100      -2.207500     -1.0500000E-02
 C    1.608600      0.4189000      0.1309000    
 C    3.956900      0.1337000      7.3799998E-02
 C    4.999100     -0.8804000     -0.3472000    
 H  -0.8862000      0.7961000       1.222600    
 H  -0.8016000       1.505100     -0.3926000    
 H   -4.218800      0.1930000     -0.2431000    
 H   -3.408000      0.7872000       1.212800    
 H   -1.374000      -2.090200      0.1085000    
 H   -2.168600      -1.369900       1.517200    
 H   0.3210000     -0.5008000      -1.292500    
 H   0.3566000      -1.214800      0.3508000    
 H   -2.537200       2.706400     -5.2299999E-02
 H   -3.015700       1.961800      -1.601200    
 H   -4.234400       2.515700     -0.4522000    
 H   -4.351700      -1.823100      0.4574000    
 H   -3.565600      -2.195200      -1.098800    
 H   -3.353400      -3.256600      0.2953000    
 H    4.098700       1.064500     -0.4865000    
 H    4.050000      0.3367000       1.146500    
 H    6.008500     -0.5083000     -0.1512000    
 H    4.858900      -1.823400      0.1917000    
 H    4.906800      -1.107500      -1.414400    


%chk=000079649-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079649

0 1
O 2.710632 -0.378035 -0.224145
O 1.785754 1.654779 0.439009
N -2.165388 -0.134527 0.072322
C -0.856023 0.398357 0.524604
C -3.281554 0.823724 0.305655
C -2.450578 -1.490188 0.619524
C 0.313761 -0.199646 -0.286484
C -3.291623 1.989775 -0.701205
C -3.433159 -2.296971 -0.250987
C 1.635196 0.479455 0.028145
C 4.075385 0.199352 -0.010579
C 5.076040 -0.898632 -0.355813
H -0.686034 0.223524 1.616073
H -0.842186 1.491750 0.380723
H -4.229829 0.265603 0.203950
H -3.261265 1.224739 1.351152
H -1.494531 -2.043534 0.670393
H -2.834236 -1.431103 1.670399
H 0.093973 -0.053800 -1.362363
H 0.423954 -1.287049 -0.134324
H -2.373898 2.601558 -0.635236
H -3.367271 1.599642 -1.731119
H -4.152268 2.657657 -0.509442
H -4.419619 -1.804645 -0.325938
H -3.031258 -2.407356 -1.273125
H -3.594372 -3.303327 0.179058
H 4.180928 1.089809 -0.656629
H 4.151080 0.529080 1.041414
H 6.106621 -0.525170 -0.213374
H 4.933088 -1.780125 0.292335
H 4.964082 -1.217894 -1.406093


