%chk=000095054.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095054

0 1
 O    3.559500      -2.566500      0.5600000    
 O   -7.248000     -0.5181000      -1.275500    
 O   -7.409100     -0.1556000      0.9627000    
 N   -1.082600      0.2524000     -0.2239000    
 N    1.920300     -0.4582000      0.5853000    
 N    5.117900      0.9759000     -0.4423000    
 N    2.989900       2.041100     -0.1164000    
 N    5.404700      -1.363700     -9.7900003E-02
 N    7.176900      1.6899999E-02 -0.7705000    
 C  -0.2674000      0.5273000      0.9405000    
 C    1.168600      0.6578000      0.5699000    
 C   -2.459900      0.1285000     -0.1817000    
 C    3.213500     -0.2903000      0.2423000    
 C    3.761500      0.9332000     -0.1070000    
 C    1.693400       1.884200      0.2256000    
 C   -3.163200      0.2671000       1.030800    
 C   -3.198800     -0.1413000      -1.350100    
 C    4.071600      -1.495900      0.2481000    
 C   -5.263700     -0.1267000     -9.5899999E-02
 C   -4.551700      0.1407000       1.073300    
 C   -4.587300     -0.2678000      -1.307700    
 C    5.865300     -0.1811000     -0.4182000    
 C   -6.711300     -0.2598000     -5.1500000E-02
 H  -0.3682000     -0.2871000       1.669100    
 H  -0.5956000       1.449600       1.436400    
 H  -0.6286000      0.1330000      -1.123200    
 H    1.096000       2.788400      0.2083000    
 H   -2.649900      0.4731000       1.966200    
 H   -2.686900     -0.2546000      -2.303400    
 H    5.517000       1.870500     -0.6972000    
 H   -5.060300      0.2532000       2.027200    
 H   -5.102100     -0.4765000      -2.241300    
 H    7.836200     -0.7534000     -0.7932000    
 H    7.525500      0.9369000      -1.016500    
 H   -8.224300     -0.6055000      -1.234800    


%chk=000095054-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095054

0 1
O 2.726815 -1.687149 -2.061838
O -7.069418 -1.387852 -1.245354
O -7.517879 0.206235 0.384132
N -1.003462 0.242402 0.066032
N 1.607065 0.154969 -0.153907
N 5.221477 0.691717 0.198805
N 3.437808 1.734513 1.341014
N 4.895501 -1.005460 -1.489219
N 7.047916 -0.319560 -0.913100
C -0.333269 1.165831 0.962771
C 1.171359 1.052410 0.771216
C -2.376070 0.089285 -0.013536
C 2.948378 0.024219 -0.354036
C 3.849667 0.827282 0.406909
C 2.094054 1.839017 1.515507
C -3.271510 0.851915 0.802335
C -2.927098 -0.857473 -0.936359
C 3.484586 -0.958695 -1.369415
C -5.200756 -0.271733 -0.223530
C -4.657388 0.668132 0.692747
C -4.311646 -1.031842 -1.036849
C 5.684594 -0.230780 -0.752128
C -6.663929 -0.422881 -0.295892
H -0.581243 0.955444 2.027893
H -0.645346 2.218396 0.776049
H -0.367940 -0.311194 -0.524106
H 1.752825 2.563538 2.262344
H -2.881069 1.583609 1.516871
H -2.249571 -1.446469 -1.565695
H 5.839309 1.284411 0.760508
H -5.348653 1.248056 1.313825
H -4.727618 -1.755984 -1.742888
H 7.375434 -0.990998 -1.604810
H 7.718659 0.233817 -0.386233
H -8.062683 -1.429428 -1.232564


