%chk=000047270.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047270

1 1
 O   -2.274800      0.1290000      0.9623000    
 O   -2.772700     -0.1913000      -1.286200    
 N    2.393200     -0.6608000     -3.9700001E-02
 N   -4.308100     -0.7477000      0.3616000    
 C    2.002200      -2.101100      0.2849000    
 C    1.212600      0.3039000      9.6100003E-02
 C    3.489100     -0.2350000      0.9330000    
 C    2.898300     -0.6191000      -1.479200    
 C    1.435600       1.616000     -0.1563000    
 C    3.207300      -2.997700      0.1026000    
 C   2.9200001E-02 -0.2478000      0.4649000    
 C   0.3486000       2.480000     -2.5400000E-02
 C   -1.058000      0.6163000      0.5958000    
 C    2.760200       2.175800     -0.5603000    
 C  -0.8982000       1.980300      0.3508000    
 C   -3.101300     -0.2698000     -0.1061000    
 C   -5.363100      -1.230900     -0.4986000    
 H    1.662800      -2.155800       1.326500    
 H    1.214800      -2.426300     -0.4059000    
 H    3.406700     -0.8462000       1.840100    
 H    4.475700     -0.3950000      0.4884000    
 H    3.385100      0.7922000       1.286100    
 H    2.685100      0.3141000      -1.999200    
 H    3.970400     -0.8351000      -1.509200    
 H    2.363300      -1.387500      -2.051100    
 H    2.927000      -4.022000      0.3760000    
 H    3.556600      -3.047700     -0.9326000    
 H    4.054600      -2.733100      0.7409000    
 H  -0.1673000      -1.289600      0.6740000    
 H   0.4610000       3.544500     -0.2139000    
 H    3.039200       2.957100      0.1589000    
 H    3.638900       1.543700     -0.6522000    
 H    2.646600       2.668600      -1.534700    
 H   -1.740800       2.659000      0.4513000    
 H   -4.463000     -0.7609000       1.365000    
 H   -6.253500     -0.6232000     -0.3201000    
 H   -5.574100      -2.268600     -0.2295000    
 H   -5.078200      -1.171300      -1.551500    


%chk=000047270-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047270

1 1
O -2.475762 0.654192 0.095281
O -2.244715 -1.732961 0.132397
N 2.374549 -0.611881 -0.162423
N -4.323574 -0.637343 0.250556
C 1.758834 -2.048034 -0.279881
C 1.279788 0.487058 -0.131099
C 3.164056 -0.552922 1.151144
C 3.289053 -0.409813 -1.373714
C 1.614199 1.876352 -0.140418
C 2.772196 -3.194745 -0.376811
C -0.057923 0.043564 -0.050331
C 0.510124 2.775175 -0.071657
C -1.111392 0.982801 0.014429
C 2.984750 2.541202 -0.258602
C -0.828683 2.363629 0.002042
C -2.968455 -0.706243 0.159552
C -5.170915 -1.836603 0.331074
H 1.127972 -2.184800 0.612180
H 1.112701 -2.029706 -1.172403
H 2.481796 -0.819474 1.971715
H 4.004010 -1.260443 1.105470
H 3.543619 0.462083 1.311111
H 3.728598 0.591061 -1.350049
H 4.091831 -1.159387 -1.346888
H 2.683918 -0.528776 -2.284869
H 2.185616 -4.130975 -0.388366
H 3.366694 -3.185812 -1.304364
H 3.450283 -3.261257 0.489804
H -0.348152 -1.003406 -0.032637
H 0.726318 3.848709 -0.077724
H 2.933113 3.553488 0.174549
H 3.814315 2.029316 0.255554
H 3.278770 2.672146 -1.318166
H -1.645851 3.087478 0.054968
H -4.750037 0.290947 0.262321
H -5.872594 -1.875957 -0.520158
H -5.745099 -1.846109 1.273859
H -4.522951 -2.725554 0.300053


