%chk=000027825.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027825

0 1
 O   0.8111000      -2.840200      0.7688000    
 N   0.5986000     -0.9301000     -0.1003000    
 N    1.146200      -2.129100     -0.1861000    
 C   -1.609400      8.2800001E-02  0.2252000    
 C  -0.7539000     -0.8429000     -0.6381000    
 C   -3.040400      0.1720000     -0.3097000    
 C    1.449800      9.5500000E-02 -0.7201000    
 C    2.565100      0.5096000      0.2383000    
 C   -3.890000       1.125000      0.5306000    
 C    3.476100       1.561600     -0.3957000    
 C   -5.321400       1.190600      2.2200000E-02
 C    4.568000       2.005000      0.5649000    
 H   -1.629900     -0.2861000       1.258700    
 H   -1.172500       1.088500      0.2522000    
 H  -0.7628000     -0.5263000      -1.690400    
 H   -1.243900      -1.828100     -0.6272000    
 H   -3.024000      0.5181000      -1.350400    
 H   -3.495500     -0.8260000     -0.3079000    
 H   0.8674000       1.001500     -0.9373000    
 H    1.859200     -0.2407000      -1.683500    
 H    3.173000     -0.3589000      0.5208000    
 H    2.128800      0.9112000       1.161900    
 H   -3.895800      0.7955000       1.576100    
 H   -3.453400       2.130300      0.5096000    
 H    2.885600       2.435800     -0.6938000    
 H    3.937400       1.156200      -1.303700    
 H   -5.910700       1.878300      0.6367000    
 H   -5.354100       1.546200      -1.012500    
 H   -5.797700      0.2057000      6.2700003E-02
 H    5.207400       2.756400      9.1100000E-02
 H    4.138900       2.446300       1.470100    
 H    5.198200       1.159900      0.8596000    


%chk=000027825-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000027825

0 1
O -0.320424 -3.160708 -0.003112
N 0.692224 -1.269100 -0.674820
N 0.806701 -2.550556 -0.164995
C -1.423321 -0.144714 0.169645
C -0.621476 -0.690738 -1.037123
C -2.804532 0.391892 -0.267860
C 1.966937 -0.564034 -0.898421
C 2.169514 0.679644 -0.002448
C -3.644375 0.924966 0.915292
C 3.535476 1.351840 -0.270861
C -5.028425 1.451043 0.478133
C 3.765344 2.600854 0.606832
H -1.556021 -0.960363 0.904192
H -0.849039 0.660030 0.669228
H -0.440122 0.107974 -1.779669
H -1.210032 -1.497530 -1.516418
H -2.673541 1.201602 -1.017016
H -3.367826 -0.417899 -0.776442
H 2.032714 -0.266031 -1.964948
H 2.761846 -1.306160 -0.703105
H 2.100830 0.377065 1.060680
H 1.360263 1.415711 -0.182586
H -3.773587 0.115067 1.661284
H -3.084059 1.733602 1.427625
H 3.602292 1.634314 -1.341581
H 4.346803 0.617977 -0.090214
H -5.609560 1.824921 1.340944
H -4.927926 2.280938 -0.246919
H -5.620357 0.651998 -0.006787
H 4.747013 3.063668 0.398344
H 2.986201 3.364759 0.424297
H 3.735866 2.341567 1.681630


