%chk=000055855.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055855

0 1
 O   -1.832700      -4.108700      0.5122000    
 N   -2.923800       2.318300     -0.3178000    
 N    5.582100     -0.3594000      0.7419000    
 C  -0.4921000       1.597000     -0.6908000    
 C   -2.011000       1.332700     -0.8905000    
 C   0.1714000      0.2149000      -1.005700    
 C  -0.1789000       2.129900      0.7238000    
 C   -2.130400     -8.7099999E-02 -0.3975000    
 C  -0.8846000     -0.7374000     -0.4831000    
 C   -1.152100       3.225200       1.135600    
 C   -2.583200       2.713900       1.046400    
 C    1.602600      6.2899999E-02 -0.5434000    
 C   -3.269900     -0.7731000     -4.8000002E-03
 C  -0.7768000      -2.091800     -0.2024000    
 C    2.653300      0.4311000      -1.386000    
 C    1.877800     -0.4463000      0.7273000    
 C   -1.917600      -2.781600      0.2142000    
 C   -3.153500      -2.126500      0.3162000    
 C    3.974000      0.2907000     -0.9595000    
 C    3.198500     -0.5866000       1.153700    
 C    4.246600     -0.2181000      0.3103000    
 H  -0.1491000       2.353700      -1.409400    
 H   -2.212800       1.302900      -1.970200    
 H   0.1617000      7.5199999E-02  -2.097900    
 H   0.8445000       2.521200      0.7590000    
 H  -0.2404000       1.326900       1.467800    
 H  -0.9363000       3.542800       2.162000    
 H   -1.021600       4.104200      0.4923000    
 H   -3.886300       1.988400     -0.3630000    
 H   -2.737800       1.878800       1.739900    
 H   -3.266100       3.512500       1.356500    
 H   -4.237400     -0.2853000      4.3099999E-02
 H   0.1684000      -2.614300     -0.3089000    
 H    2.454200      0.8313000      -2.376600    
 H    1.087700     -0.7241000       1.418300    
 H   -4.040200      -2.672100      0.6296000    
 H    4.782000      0.5822000      -1.625700    
 H    3.398200     -0.9800000       2.147200    
 H   -2.711500      -4.428600      0.7796000    
 H    5.780100     -0.7295000       1.662000    
 H    6.342400     -9.3500003E-02  0.1304000    


%chk=000055855-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055855

0 1
O -1.760040 -4.169082 0.551282
N -2.894429 2.414051 -0.365021
N 5.670876 -0.365501 0.695770
C -0.499894 1.639323 -0.669191
C -2.022744 1.367632 -0.920902
C 0.159906 0.241638 -1.005413
C -0.248383 2.089073 0.792224
C -2.165352 -0.086907 -0.431750
C -0.904305 -0.737418 -0.495527
C -1.200952 3.230310 1.213450
C -2.665104 2.773503 1.049737
C 1.595604 0.042635 -0.539507
C -3.309635 -0.795210 -0.031916
C -0.777001 -2.099794 -0.178366
C 2.668944 0.354626 -1.412911
C 1.930689 -0.416703 0.761296
C -1.935359 -2.805665 0.230243
C -3.197028 -2.166336 0.310522
C 4.014786 0.228934 -1.017416
C 3.269438 -0.554543 1.174277
C 4.339354 -0.230391 0.291048
H -0.135428 2.423929 -1.358215
H -2.189003 1.369076 -2.020915
H 0.163849 0.163950 -2.116329
H 0.808416 2.391084 0.907602
H -0.408880 1.230496 1.475181
H -1.010694 3.516385 2.265985
H -1.035116 4.124140 0.581471
H -3.883317 2.288266 -0.608969
H -2.854604 1.927155 1.756017
H -3.358984 3.592592 1.315469
H -4.286779 -0.299544 0.024863
H 0.181310 -2.625230 -0.228207
H 2.445727 0.704292 -2.429530
H 1.131077 -0.680149 1.463010
H -4.081520 -2.730047 0.636415
H 4.819181 0.477613 -1.721076
H 3.493531 -0.917285 2.185443
H -2.621660 -4.576066 0.816780
H 5.900391 -0.699428 1.626723
H 6.432532 -0.142703 0.062453


