%chk=000095489.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095489

0 1
 O   -3.354600       1.401600      0.5264000    
 O   -3.645300     -0.4897000     -0.7122000    
 N   -1.212000      -1.384800     -0.1794000    
 C   -1.544700     -8.7800004E-02  0.4090000    
 C  -0.5980000      0.9977000     -0.1124000    
 C   0.8496000      0.5805000     -5.0099999E-02
 C    1.190500     -0.7766000      8.6199999E-02
 C   0.1174000      -1.822100      0.2640000    
 C    1.862000       1.539400     -0.1859000    
 C    2.541000      -1.148800      0.1208000    
 C   -2.950400      0.2198000       0.000000    
 C    3.202600       1.156500     -0.1609000    
 C    3.541800     -0.1857000     -5.5000000E-03
 H   -1.516800     -0.1620000       1.503600    
 H  -0.7345000       1.910400      0.4817000    
 H  -0.8365000       1.250100      -1.154500    
 H   0.3827000      -2.721300     -0.3042000    
 H   7.1800001E-02  -2.107700       1.322000    
 H   -1.211200      -1.307000      -1.197300    
 H    1.610200       2.589400     -0.3119000    
 H    2.819500      -2.192000      0.2471000    
 H    3.982700       1.905300     -0.2628000    
 H    4.586300     -0.4825000      1.8200001E-02
 H   -4.274600       1.622600      0.2677000    


%chk=000095489-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095489

0 1
O -3.537187 1.223890 0.857598
O -3.582506 -0.135110 -1.027154
N -1.235625 -1.411223 -0.102530
C -1.546920 -0.051393 0.365279
C -0.581134 1.026414 -0.235108
C 0.876173 0.588150 -0.109861
C 1.219096 -0.778456 0.078578
C 0.129231 -1.846310 0.242826
C 1.911533 1.553200 -0.207416
C 2.584364 -1.147549 0.162306
C -2.974450 0.294650 -0.022568
C 3.269036 1.177537 -0.130042
C 3.608903 -0.183929 0.053427
H -1.460835 -0.023145 1.467252
H -0.735418 2.000594 0.265786
H -0.834975 1.166669 -1.306326
H 0.373982 -2.734862 -0.367642
H 0.136455 -2.188221 1.299891
H -1.494281 -1.544970 -1.088035
H 1.645392 2.608900 -0.345861
H 2.845581 -2.203368 0.313155
H 4.054826 1.936876 -0.210181
H 4.660048 -0.488030 0.111219
H -4.451792 1.464986 0.545009


