%chk=000050231.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050231

0 1
 O    3.683000      0.6706000     -0.5191000    
 N    1.733000      0.2852000      0.1779000    
 N    2.986700     -0.1078000      0.1434000    
 C   0.7604000     -0.8230000      0.1843000    
 C  -0.6463000     -0.3435000      5.6299999E-02
 C    1.145500      -1.826600     -0.9177000    
 C  -0.9298000      0.7920000     -0.7025000    
 C   -1.678300      -1.030700      0.6956000    
 C    1.461900       1.172800       1.310700    
 C   -2.245200       1.240400     -0.8219000    
 C   -2.993600     -0.5824000      0.5759000    
 C   -3.277300      0.5531000     -0.1829000    
 H   0.8522000      -1.360300       1.141600    
 H   0.3927000      -2.621500     -0.9867000    
 H    2.102700      -2.323900     -0.7261000    
 H    1.190800      -1.347700      -1.903600    
 H  -0.1548000       1.336400      -1.235200    
 H   -1.472200      -1.918200       1.288200    
 H    2.177800       2.006100       1.327400    
 H    1.551400      0.6518000       2.273300    
 H   0.4806000       1.654200       1.280600    
 H   -2.467100       2.121100      -1.417500    
 H   -3.797300      -1.118000       1.072800    
 H   -4.301600      0.9013000     -0.2773000    


%chk=000050231-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050231

0 1
O 3.414092 1.421999 -0.426527
N 1.732641 0.174419 0.416254
N 2.605513 0.439702 -0.628231
C 0.750505 -0.926517 0.223349
C -0.672535 -0.372395 0.056791
C 1.135034 -1.853291 -0.953261
C -0.939660 0.653188 -0.885210
C -1.742032 -0.912478 0.810463
C 1.702104 0.974114 1.653038
C -2.256747 1.127401 -1.069249
C -3.062799 -0.443055 0.623450
C -3.323029 0.579327 -0.317080
H 0.777407 -1.527265 1.156139
H 0.417204 -2.691397 -0.986222
H 2.154159 -2.255490 -0.825705
H 1.096227 -1.320697 -1.915982
H -0.115226 1.082048 -1.467853
H -1.543045 -1.703354 1.545264
H 2.422206 1.800355 1.531617
H 1.995914 0.356508 2.521815
H 0.688095 1.377097 1.821050
H -2.453236 1.922482 -1.797236
H -3.882939 -0.869437 1.211878
H -4.344653 0.948136 -0.461054


