%chk=000005718.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005718

0 1
 O   -1.650700      0.2679000      0.5232000    
 O   -3.957200       1.845800      0.8465000    
 O    1.601800      -2.185200      0.9249000    
 N   0.5873000     -0.2831000      0.1016000    
 N    2.978000     -0.4765000      0.3434000    
 N    4.382500       1.278700     -0.2526000    
 C  -0.7446000     -0.8023000      0.2146000    
 C   -1.240400      -1.452300      -1.065700    
 C   -2.724000      -1.187500     -0.9948000    
 C   -2.752300      0.2088000     -0.3984000    
 C   -4.045400      0.5317000      0.3245000    
 C   0.7593000      0.9994000     -0.3923000    
 C    1.721800      -1.042100      0.4803000    
 C    1.958500       1.561500     -0.5305000    
 C    3.125200      0.7352000     -0.1246000    
 H  -0.7954000      -1.517800       1.043800    
 H  -0.9898000      -2.515500      -1.123700    
 H  -0.8209000     -0.9645000      -1.954500    
 H   -3.222300      -1.245500      -1.966400    
 H   -3.195300      -1.913300     -0.3211000    
 H   -2.555600      0.9638000      -1.169700    
 H   -4.218300     -0.1491000       1.164400    
 H   -4.902500      0.4825000     -0.3534000    
 H  -0.1205000       1.554200     -0.6959000    
 H    2.102600       2.558900     -0.9238000    
 H   -3.188300       1.874900       1.441400    
 H    4.529400       2.215900     -0.6125000    
 H    5.207300      0.7507000      1.2100000E-02


%chk=000005718-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005718

0 1
O -1.723902 0.324808 0.491323
O -4.066052 1.922944 0.739738
O 1.484780 -2.282381 0.467931
N 0.612106 -0.142952 0.099612
N 3.008306 -0.526872 0.072126
N 4.467196 1.225566 -0.354411
C -0.740170 -0.746401 0.297468
C -1.222519 -1.578699 -0.919546
C -2.744900 -1.303966 -0.961866
C -2.847093 0.161293 -0.497738
C -4.127104 0.545606 0.246123
C 0.793520 1.189190 -0.181757
C 1.742728 -1.065628 0.228581
C 2.064458 1.707674 -0.356705
C 3.170162 0.785605 -0.211238
H -0.677258 -1.359638 1.212521
H -0.961516 -2.639920 -0.797742
H -0.730477 -1.207314 -1.836611
H -3.170652 -1.454000 -1.967941
H -3.280545 -1.964718 -0.254320
H -2.666313 0.871025 -1.330548
H -4.294548 -0.173425 1.076069
H -4.991881 0.516388 -0.438583
H -0.114549 1.794892 -0.230739
H 2.209773 2.767541 -0.573549
H -3.265260 1.990168 1.321477
H 4.687465 2.195132 -0.563129
H 5.214444 0.543282 -0.235745


