%chk=000064028.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064028

0 1
 O    3.924600      -2.841300     -0.4585000    
 N   -2.384300      0.9339000     -0.4607000    
 N   0.3147000      4.3000001E-02 -0.6721000    
 N    2.374000      0.8319000     -6.5399997E-02
 N    2.089700      -1.474300     -0.5862000    
 C   -1.931200     -0.2603000      0.2668000    
 C   -1.284700       1.901200     -0.5897000    
 C  -0.7581000     -0.9267000     -0.4545000    
 C  -9.7199999E-02   1.282500      -1.329700    
 C   -3.528700       1.544100      0.2147000    
 C    1.625900     -0.2595000     -0.4458000    
 C   -4.674200      0.5733000      0.2919000    
 C    3.735400      0.6752000      0.2000000    
 C    4.308000     -0.5967000      7.1599998E-02
 C   -5.608800      0.5331000     -0.7348000    
 C   -4.784400     -0.2715000       1.388800    
 C    3.428900      -1.724500     -0.3438000    
 C    4.538200       1.750900      0.5884000    
 C   -6.671700     -0.3673000     -0.6634000    
 C   -5.847200      -1.171900       1.460100    
 C    5.667200     -0.7960000      0.3280000    
 C   -6.790900      -1.220000      0.4342000    
 C    5.896200       1.555300      0.8452000    
 C    6.458800      0.2853000      0.7150000    
 H   -2.695800      -1.039400      0.3043000    
 H   -1.637300     -8.8999998E-03   1.294700    
 H  -0.9587000       2.252600      0.3985000    
 H   -1.623800       2.777200      -1.155500    
 H  -0.4095000      -1.770700      0.1527000    
 H   -1.079900      -1.332400      -1.421700    
 H  -0.3913000       1.044100      -2.360400    
 H   0.7016000       2.025700      -1.416400    
 H   -3.858900       2.436200     -0.3340000    
 H   -3.266000       1.891900       1.223500    
 H    1.958000       1.732100      0.1376000    
 H   -5.524900       1.191100      -1.595300    
 H   -4.068700     -0.2344000       2.205500    
 H    4.114000       2.746300      0.6935000    
 H    6.124000      -1.776800      0.2324000    
 H   -7.406400     -0.4049000      -1.462400    
 H   -5.942500      -1.833000       2.316700    
 H   -7.619000      -1.920400      0.4903000    
 H    6.516700       2.394300       1.146800    
 H    7.516100      0.1383000      0.9159000    


%chk=000064028-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064028

0 1
O 3.613321 -2.817737 0.622139
N -2.388175 0.895426 0.011006
N 0.345989 0.287883 -0.655447
N 2.616117 1.003079 -0.483758
N 1.980934 -1.264820 -0.002219
C -1.812177 -0.437953 0.330198
C -1.348550 1.943946 0.079252
C -0.680066 -0.782244 -0.650323
C -0.207076 1.629578 -0.915538
C -3.582437 1.221504 0.828873
C 1.666471 -0.019285 -0.366741
C -4.788961 0.347591 0.498383
C 3.971878 0.763048 -0.179327
C 4.347435 -0.549753 0.218964
C -5.101500 0.028656 -0.847593
C -5.642122 -0.118170 1.528219
C 3.308059 -1.631064 0.295042
C 4.937092 1.797427 -0.270267
C -6.247125 -0.736807 -1.156243
C -6.792944 -0.881198 1.222111
C 5.703080 -0.811445 0.529880
C -7.099539 -1.192308 -0.122169
C 6.280534 1.513685 0.042382
C 6.669331 0.209085 0.445262
H -2.608925 -1.196871 0.244099
H -1.417414 -0.469523 1.376207
H -0.910326 2.038841 1.106618
H -1.800558 2.917238 -0.190332
H -0.175025 -1.718290 -0.366946
H -1.096950 -0.878132 -1.672668
H -0.611664 1.664533 -1.947179
H 0.559416 2.417420 -0.821441
H -3.835382 2.281724 0.622835
H -3.368842 1.152768 1.925650
H 2.357682 1.926409 -0.829675
H -4.427854 0.377211 -1.638414
H -5.404402 0.113038 2.574413
H 4.640542 2.807574 -0.578807
H 5.960042 -1.832199 0.832103
H -6.476735 -0.978969 -2.200347
H -7.442865 -1.236960 2.029590
H -7.988399 -1.786852 -0.361494
H 7.029318 2.310572 -0.026335
H 7.716671 0.000944 0.686835


