%chk=000023538.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023538

0 1
 O    5.177000       1.216800       1.453400    
 N   -1.448400      0.6494000     -0.8176000    
 N    3.529200       2.009400     -1.8000000E-03
 C    1.360400      0.8472000      0.1864000    
 C   0.1072000      0.7221000       1.099700    
 C   0.8542000       1.512600      -1.126000    
 C   -1.040800     -3.0300001E-02  0.4173000    
 C  -0.3295000      0.7685000      -1.759500    
 C    2.368700       1.811800      0.8503000    
 C    2.087000     -0.5010000     -5.9000002E-03
 C   -2.574500     -4.5100000E-02  -1.440600    
 C    2.044800      -1.457200       1.003600    
 C    2.777900     -0.7501000      -1.187300    
 C   -3.773700     -9.7300000E-02 -0.5316000    
 C    2.701100      -2.675800      0.8299000    
 C    3.434100      -1.968700      -1.360900    
 C    3.395700      -2.931500     -0.3522000    
 C    4.806300       1.692300      0.3879000    
 C   -3.925100      -1.167500      0.3390000    
 C   -4.710500      0.9259000     -0.5765000    
 C   -5.035900      -1.215800       1.181400    
 C   -5.821100      0.8776000      0.2661000    
 C   -5.983800     -0.1933000       1.145000    
 H  -0.2537000       1.734600       1.338200    
 H   0.3246000      0.2818000       2.077300    
 H    1.635500       1.633400      -1.882200    
 H   0.5192000       2.536300     -0.9009000    
 H  -0.7634000      -1.074700      0.2310000    
 H   -1.842300     -2.1100000E-02   1.160800    
 H  -0.6525000       1.336800      -2.640500    
 H  -7.8999996E-03 -0.2188000      -2.113700    
 H    2.690600       1.436400       1.829100    
 H    1.924700       2.801300       1.010100    
 H   -2.297800      -1.064600      -1.744000    
 H   -2.864900      0.4696000      -2.366600    
 H    3.400500       2.462400     -0.9014000    
 H    1.545600      -1.300400       1.951500    
 H    2.847100     -2.9700000E-02  -1.993700    
 H    2.677400      -3.423300       1.617500    
 H    3.978000      -2.167200      -2.279800    
 H    3.908600      -3.879300     -0.4866000    
 H    5.525200       1.935400     -0.4119000    
 H   -3.203900      -1.979500      0.3685000    
 H   -4.592600       1.765700      -1.255600    
 H   -5.164400      -2.051300       1.863300    
 H   -6.559100       1.674000      0.2381000    
 H   -6.848900     -0.2312000       1.800400    


%chk=000023538-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023538

0 1
O 5.001113 1.702768 1.718811
N -1.469341 0.358770 -0.791124
N 3.488226 2.211884 -0.000881
C 1.365686 0.801288 0.105513
C 0.157327 0.579582 1.073303
C 0.773794 1.345870 -1.230642
C -0.958167 -0.276712 0.449993
C -0.387928 0.499457 -1.795094
C 2.265432 1.909493 0.755098
C 2.205378 -0.489977 -0.058113
C -2.653843 -0.341129 -1.342300
C 2.691174 -1.158835 1.098658
C 2.573526 -1.021292 -1.321376
C -3.901983 -0.187901 -0.477004
C 3.494469 -2.313580 1.000924
C 3.379230 -2.178725 -1.427483
C 3.841409 -2.835174 -0.266616
C 4.754283 2.064020 0.534695
C -4.824182 -1.255414 -0.349896
C -4.184361 1.040963 0.171681
C -6.012568 -1.098617 0.400648
C -5.367415 1.199382 0.926314
C -6.288620 0.130943 1.041396
H -0.271340 1.567322 1.335744
H 0.495585 0.108485 2.014143
H 1.555935 1.449179 -2.008841
H 0.375141 2.360381 -1.031225
H -0.575812 -1.309480 0.246490
H -1.796299 -0.368945 1.163279
H -0.804604 1.004504 -2.687769
H -0.011867 -0.500833 -2.125771
H 2.598589 1.597112 1.760091
H 1.657308 2.829808 0.871233
H -2.456158 -1.431090 -1.511582
H -2.853247 0.098757 -2.341190
H 3.406388 2.507979 -0.975196
H 2.462000 -0.765693 2.095787
H 2.239205 -0.537619 -2.244452
H 3.860196 -2.797714 1.913261
H 3.645259 -2.564432 -2.418548
H 4.467159 -3.731043 -0.346035
H 5.553946 2.308528 -0.201872
H -4.611035 -2.215126 -0.838069
H -3.456970 1.855559 0.081695
H -6.716094 -1.934304 0.490169
H -5.573195 2.154153 1.424266
H -7.206826 0.254046 1.626885


