%chk=000054729.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054729

0 1
 O    5.716600      -1.222700     -0.5924000    
 N   -1.373200      0.1205000      8.6999997E-02
 N   -1.987100      -1.078700      0.1030000    
 C    4.269700      0.4193000      0.4727000    
 C    2.783900      0.3407000      0.3718000    
 C   1.5200000E-02  0.1942000      0.1840000    
 C    2.029200       1.509000      0.2659000    
 C    2.148800     -0.9012000      0.3832000    
 C    4.794800     -0.1553000       1.800600    
 C   0.6394000       1.435500      0.1717000    
 C   0.7592000     -0.9747000      0.2888000    
 C   -3.461300      0.6396000     -8.2599998E-02
 C    4.970900     -0.2512000     -0.7195000    
 C   -2.212600       1.190500     -2.3200000E-02
 C   -3.296800     -0.7921000     -1.1000000E-03
 C   -4.652800       1.344100     -0.1992000    
 C   -4.416300      -1.643800     -3.6800001E-02
 C    4.671600      0.3162000      -2.085600    
 C   -5.754900      0.4671000     -0.2328000    
 C   -5.644400     -0.9570000     -0.1556000    
 H    4.590600       1.469800      0.4448000    
 H    2.509700       2.483800      0.2550000    
 H    2.720100      -1.822500      0.4593000    
 H    5.878900     -1.5100000E-02   1.878300    
 H    4.598000      -1.229100       1.892800    
 H    4.327500      0.3470000       2.654900    
 H   0.1118000       2.378900      9.1799997E-02
 H   0.3055000      -1.961900      0.2995000    
 H   -1.905100       2.226000     -5.2700002E-02
 H   -4.750200       2.419000     -0.2585000    
 H   -4.354900      -2.722400      2.0099999E-02
 H    4.769000       1.404600      -2.063700    
 H    3.663900      3.2600001E-02  -2.396900    
 H    5.391800     -7.7200003E-02  -2.808900    
 H   -6.752700      0.8960000     -0.3229000    
 H   -6.562400      -1.543000     -0.1906000    


%chk=000054729-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054729

0 1
O 5.388326 -1.585170 -0.572327
N -1.427660 0.234415 0.076648
N -2.048250 -1.020371 0.073459
C 4.372769 0.400491 0.450463
C 2.842748 0.365775 0.330318
C 0.003467 0.292347 0.157386
C 2.089143 1.561221 0.234539
C 2.144207 -0.870553 0.328815
C 4.860361 -0.137513 1.816103
C 0.681731 1.534379 0.150912
C 0.740599 -0.914169 0.243741
C -3.612541 0.724327 -0.054876
C 4.981884 -0.404062 -0.726805
C -2.321559 1.291836 0.001897
C -3.389264 -0.714250 -0.007325
C -4.940883 1.246477 -0.139347
C -4.488564 -1.624513 -0.044072
C 5.047753 0.304217 -2.072693
C -6.001623 0.337330 -0.173781
C -5.775241 -1.085864 -0.126338
H 4.693418 1.454768 0.332286
H 2.605364 2.528708 0.233511
H 2.706252 -1.809441 0.389002
H 5.958221 -0.051290 1.901997
H 4.603474 -1.203962 1.926927
H 4.393356 0.427930 2.641310
H 0.134143 2.479192 0.083140
H 0.195658 -1.860596 0.240836
H -2.005098 2.329999 -0.003251
H -5.122209 2.325926 -0.175773
H -4.315115 -2.704246 -0.007972
H 5.846000 1.072157 -2.046950
H 4.098759 0.827075 -2.289584
H 5.274626 -0.413817 -2.875902
H -7.031861 0.704743 -0.238092
H -6.640987 -1.756996 -0.156003


