%chk=000054591.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054591

0 1
 O    4.707000      0.6826000      0.3143000    
 N    2.494600      0.2942000      0.9594000    
 C    1.882300      0.2659000     -0.3577000    
 C   0.4068000     -0.1877000     -0.3096000    
 C    2.505800     -0.8596000      -1.198600    
 C   0.4987000      -1.699700     -7.3299997E-02
 C    1.807600      -2.139100     -0.7326000    
 C  -0.4848000      0.5129000      0.7069000    
 C    2.061800       1.629200      -1.022000    
 C   -1.944800      0.3327000      0.3870000    
 C    3.837500      0.4988000       1.156300    
 C   -2.584300       1.254500     -0.4302000    
 C   -2.631000     -0.7529000      0.9135000    
 C   -3.936900       1.087600     -0.7267000    
 C   -3.983700     -0.9199000      0.6167000    
 C   -4.636700      3.9999999E-04 -0.2034000    
 H  -1.6600000E-02 -4.0100001E-02  -1.315400    
 H    3.591800     -0.9570000      -1.126300    
 H    2.273800     -0.7059000      -2.261200    
 H  -0.3562000      -2.230200     -0.5055000    
 H   0.5298000      -1.941600      0.9958000    
 H    2.429000      -2.676200     -7.1000000E-03
 H    1.628000      -2.815500      -1.574900    
 H  -0.2668000       1.588200      0.7254000    
 H  -0.2887000      0.1614000       1.727800    
 H    3.111500       1.852800      -1.237200    
 H    1.525200       1.677100      -1.976400    
 H    1.679000       2.436100     -0.3872000    
 H    1.909500      0.1697000       1.779700    
 H    4.076600      0.4820000       2.232500    
 H   -2.048000       2.103200     -0.8452000    
 H   -2.133900      -1.474600       1.555300    
 H   -4.445200       1.803600      -1.365900    
 H   -4.528800      -1.766100       1.024600    
 H   -5.689900     -0.1297000     -0.4344000    


%chk=000054591-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054591

0 1
O 4.774604 0.542781 0.541265
N 2.491309 0.184097 0.985468
C 1.946726 0.303160 -0.403007
C 0.433619 -0.105545 -0.382383
C 2.549034 -0.816415 -1.304422
C 0.446645 -1.658101 -0.267128
C 1.804344 -2.120253 -0.895748
C -0.467668 0.617518 0.655211
C 2.201357 1.724581 -0.949028
C -1.951748 0.366768 0.412760
C 3.817584 0.311574 1.335581
C -2.633432 1.054722 -0.625303
C -2.679468 -0.566500 1.193664
C -4.002440 0.816133 -0.877230
C -4.049781 -0.810381 0.944954
C -4.716699 -0.119821 -0.092602
H 0.056182 0.164759 -1.389654
H 3.643341 -0.877654 -1.193490
H 2.332341 -0.558586 -2.358867
H -0.428737 -2.102080 -0.771211
H 0.384867 -1.963771 0.796147
H 2.397184 -2.688997 -0.157525
H 1.652085 -2.782698 -1.766055
H -0.262004 1.705353 0.611868
H -0.214465 0.278990 1.680919
H 3.284748 1.928376 -0.982091
H 1.792909 1.818668 -1.971949
H 1.725796 2.492214 -0.311155
H 1.828788 0.006303 1.743764
H 3.970788 0.184844 2.434728
H -2.088900 1.788573 -1.233577
H -2.170414 -1.104581 2.003478
H -4.513302 1.361544 -1.678999
H -4.595727 -1.534037 1.560952
H -5.779467 -0.304439 -0.284935


