%chk=000016554.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016554

0 1
 O   -2.290400      0.8876000       1.429700    
 N  -0.9208000      0.2094000     -0.2881000    
 N   -3.239300     -0.2071000     -0.3875000    
 C   0.2981000      0.7053000      0.3131000    
 C    1.242500       1.234000     -0.7738000    
 C   0.8697000     -0.3191000       1.298500    
 C    2.642400       1.614200     -0.2889000    
 C    1.333700      -1.656900      0.7232000    
 C    3.730000      0.5920000     -0.6258000    
 C    2.489200      -1.636000     -0.2769000    
 C    3.669600     -0.7464000      0.1135000    
 C   -2.160200      0.3402000      0.3305000    
 C   -4.604800     -0.1674000      0.1192000    
 C   -3.059600     -0.8500000      -1.686800    
 H   2.0099999E-02   1.577000      0.9220000    
 H   0.7740000       2.139700      -1.186000    
 H    1.296300      0.5498000      -1.627300    
 H   9.5299996E-02 -0.5464000       2.044500    
 H    1.682100      0.1344000       1.876500    
 H    2.651100       1.852700      0.7801000    
 H    2.922700       2.545700     -0.7991000    
 H   0.4834000      -2.176600      0.2649000    
 H    1.639000      -2.284500       1.571500    
 H    4.698400       1.053300     -0.3918000    
 H    3.738900      0.4113000      -1.708200    
 H    2.126000      -1.395600      -1.280700    
 H    2.855300      -2.669100     -0.3534000    
 H    4.588100      -1.288300     -0.1498000    
 H    3.720000     -0.5932000       1.197000    
 H  -0.8261000     -0.3383000      -1.135000    
 H   -4.976400      -1.191800      0.2123000    
 H   -5.227000      0.3908000     -0.5864000    
 H   -4.649200      0.3193000       1.096700    
 H   -2.561800     -0.1580000      -2.372700    
 H   -4.027200      -1.132600      -2.111900    
 H   -2.448400      -1.748300      -1.558700    


%chk=000016554-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016554

0 1
O -2.308950 0.836622 1.431195
N -0.946780 0.227443 -0.363143
N -3.272440 -0.232871 -0.426210
C 0.282926 0.729387 0.290658
C 1.249540 1.247271 -0.808583
C 0.866578 -0.304071 1.291362
C 2.669568 1.640974 -0.309721
C 1.324266 -1.672111 0.736201
C 3.792483 0.603379 -0.579878
C 2.533227 -1.683710 -0.243586
C 3.725724 -0.764035 0.152784
C -2.182720 0.302552 0.278758
C -4.598587 -0.208741 0.206180
C -3.139544 -0.815143 -1.766199
H -0.036195 1.594853 0.902799
H 0.760962 2.124734 -1.274821
H 1.349140 0.492497 -1.615532
H 0.077390 -0.478875 2.048248
H 1.703630 0.175446 1.834889
H 2.635090 1.883037 0.771460
H 2.970130 2.579602 -0.815962
H 0.462480 -2.178290 0.253663
H 1.588964 -2.301168 1.610804
H 4.761193 1.080479 -0.323393
H 3.827750 0.408363 -1.672970
H 2.204362 -1.420281 -1.268059
H 2.889781 -2.731128 -0.310073
H 4.673052 -1.294297 -0.071597
H 3.725225 -0.601857 1.249719
H -0.841280 -0.275900 -1.243464
H -5.001176 -1.232791 0.335296
H -5.317791 0.383453 -0.393213
H -4.488118 0.261059 1.195823
H -2.700902 -0.097009 -2.488918
H -4.139363 -1.086875 -2.141295
H -2.524915 -1.740898 -1.768820


