%chk=000036885.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036885

1 1
 O   -1.922500     -0.1195000      0.1171000    
 N   0.2424000     -0.9115000     -0.2645000    
 N    1.879600      -1.854600      0.7899000    
 C   -3.225400      0.1064000     -0.4029000    
 C    1.282900     -5.5999998E-03 -0.2833000    
 C   -1.067400     -0.7125000     -0.8540000    
 C   -4.084500      0.7783000      0.6702000    
 C    2.339900     -0.6145000      0.3975000    
 C   0.6163000      -2.018900      0.3848000    
 C   -3.822100      -1.227500     -0.8313000    
 C    1.381100       1.268900     -0.8291000    
 C    3.568800      8.6000003E-03  0.5799000    
 C   -3.488200       2.096900       1.144700    
 C    2.615600       1.910400     -0.6534000    
 C    3.683400       1.295300      3.4499999E-02
 H   -3.159700      0.7771000      -1.269300    
 H  -0.9855000     -7.7900000E-02  -1.742800    
 H   -1.414000      -1.705500      -1.155700    
 H   -5.094400      0.9575000      0.2836000    
 H   -4.176700      0.1157000       1.539600    
 H   1.1800000E-02  -2.894400      0.5576000    
 H    2.418500      -2.541700       1.309900    
 H   -3.647000      -2.007200     -8.1900001E-02
 H   -4.902500      -1.137400     -0.9889000    
 H   -3.405400      -1.575400      -1.782000    
 H   0.5587000       1.738300      -1.353300    
 H    4.379800     -0.4742000       1.109600    
 H   -3.365800       2.793800      0.3094000    
 H   -2.511500       1.948600       1.616000    
 H   -4.148100       2.564400       1.882500    
 H    2.755000       2.910800      -1.057300    
 H    4.621100       1.835600      0.1442000    


%chk=000036885-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036885

1 1
O -1.908739 -0.508454 0.086487
N 0.267348 -1.254008 -0.342239
N 2.147350 -1.991698 0.571728
C -3.195623 0.052463 -0.470869
C 1.114555 -0.124357 -0.194804
C -1.116098 -1.232088 -0.868499
C -3.723304 1.003536 0.612784
C 2.328713 -0.601632 0.382434
C 0.909354 -2.350402 0.138029
C -4.172768 -1.079676 -0.821571
C 0.928049 1.237328 -0.505086
C 3.413308 0.254647 0.657479
C -2.810505 2.218412 0.875646
C 2.012335 2.094368 -0.233869
C 3.230663 1.613474 0.333465
H -2.928458 0.631150 -1.385418
H -1.103202 -0.735199 -1.862483
H -1.436765 -2.286189 -0.994316
H -4.725812 1.347644 0.293755
H -3.867579 0.423455 1.544112
H 0.495565 -3.354491 0.171842
H 2.830674 -2.635675 0.973805
H -4.403733 -1.684262 0.073004
H -5.118756 -0.652034 -1.198589
H -3.782821 -1.749274 -1.610449
H -0.011712 1.616207 -0.913343
H 4.346823 -0.105125 1.098982
H -2.693324 2.836572 -0.035407
H -1.810264 1.895342 1.213546
H -3.239654 2.865522 1.660048
H 1.916787 3.161291 -0.455952
H 4.041791 2.321453 0.527048


