%chk=000107949.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107949

0 1
 O   -4.158700       1.095400      -1.132300    
 O    3.279400     -0.1224000      -1.492700    
 N    1.558700      -1.065100      0.4314000    
 N    2.493800     -0.1135000      0.6947000    
 C   -2.483000      5.2900001E-02  0.1949000    
 C   0.2015000     -0.6898000      0.3520000    
 C   -1.546400      0.9335000      0.7359000    
 C   -2.077600      -1.199100     -0.2676000    
 C  -0.2042000      0.5622000      0.8144000    
 C  -0.7353000      -1.570500     -0.1890000    
 C   -3.918200      0.4495000      0.1118000    
 C    3.312400      0.2957000     -0.3375000    
 C    4.277500       1.371100      8.4200002E-02
 H   -1.850400       1.911700       1.099200    
 H   -2.797700      -1.893200     -0.6927000    
 H   0.4919000       1.274800       1.248000    
 H  -0.4313000      -2.548600     -0.5532000    
 H   -4.579700     -0.4200000      0.1906000    
 H   -4.190600       1.137000      0.9195000    
 H    1.868600      -1.955400      6.3800000E-02
 H    2.556600      0.2118000       1.653300    
 H    4.550200       1.266000       1.138200    
 H    3.814800       2.349100     -7.2499998E-02
 H    5.188200       1.298000     -0.5168000    
 H   -3.788900      0.5410000      -1.840400    


%chk=000107949-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107949

0 1
O -4.234731 1.584105 -0.698565
O 3.073580 -0.047611 -1.505855
N 1.572955 -1.108698 0.607758
N 2.562107 -0.126522 0.761804
C -2.545997 -0.054399 0.147122
C 0.217115 -0.719740 0.421030
C -1.603546 0.909696 0.588273
C -2.075713 -1.354953 -0.164373
C -0.238733 0.589652 0.726456
C -0.715344 -1.693555 -0.024671
C -4.015388 0.304415 0.008121
C 3.288325 0.363103 -0.331263
C 4.355408 1.390301 0.026385
H -1.950655 1.924060 0.815699
H -2.781557 -2.115218 -0.521910
H 0.475658 1.351794 1.053100
H -0.373065 -2.706717 -0.268945
H -4.562196 -0.522523 -0.493109
H -4.488473 0.478902 0.990786
H 1.890229 -1.913205 0.057488
H 2.819179 0.116841 1.720705
H 4.386866 1.637479 1.101826
H 4.162147 2.314175 -0.544815
H 5.344851 1.012683 -0.283645
H -3.731423 1.558036 -1.552204


