%chk=000027797.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027797

0 1
 O    2.328600       2.905300     -0.5122000    
 N   -2.002200      7.7500001E-02 -0.3745000    
 N   0.3346000       1.734900     -0.4035000    
 C  -0.8340000     -0.2760000      -1.180600    
 C   -3.211900     -0.5567000     -0.9169000    
 C   -1.790000     -0.2979000       1.030400    
 C   -4.451100     -0.1579000     -0.1142000    
 C   -2.982900      0.1096000       1.896900    
 C   -4.282400     -0.4839000       1.365300    
 C   -1.034300      0.2761000      -2.596700    
 C  -0.7358000      -1.806100      -1.222900    
 C   0.3740000      0.4381000     -0.5277000    
 C    1.525400     -0.3885000     -9.8300003E-02
 C    2.552600     -0.6237000     -0.9918000    
 C    1.540600     -0.9021000       1.184200    
 C    1.408300       2.407100      0.1314000    
 C    3.636900      -1.402500     -0.5873000    
 C    2.624900      -1.680800       1.588800    
 C    3.673000      -1.931000      0.7030000    
 C    1.325800       2.558300       1.626700    
 H   -3.180300      -1.650600     -0.8845000    
 H   -3.411200     -0.2527000      -1.948700    
 H  -0.9638000      0.2595000       1.468200    
 H   -1.625000      -1.367000       1.189000    
 H   -5.332900     -0.6767000     -0.5077000    
 H   -4.634800      0.9177000     -0.2325000    
 H   -3.065600       1.204100       1.918500    
 H   -2.822200     -0.2175000       2.930600    
 H   -5.133800     -9.6500002E-02   1.935400    
 H   -4.270700      -1.572200       1.502000    
 H  -7.8599997E-02  0.2827000      -3.136100    
 H   -1.723900     -0.3196000      -3.204000    
 H   -1.390900       1.313500      -2.588800    
 H  -0.6430000      -2.306000     -0.2564000    
 H   0.1715000      -2.089600      -1.774000    
 H   -1.535100      -2.291300      -1.792400    
 H    2.530100     -0.2150000      -1.997800    
 H   0.7592000     -0.7160000       1.907900    
 H    4.453100      -1.597000      -1.276900    
 H    2.655700      -2.088700       2.594900    
 H    4.517700      -2.536300       1.018500    
 H    2.154900       2.019400       2.092000    
 H   0.3815000       2.173200       2.019700    
 H    1.391400       3.620300       1.879400    


%chk=000027797-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000027797

0 1
O 2.059960 2.943961 -0.812850
N -2.065709 -0.163000 -0.250369
N 0.328331 1.452282 -0.347063
C -0.857642 -0.565708 -1.051400
C -3.380108 -0.531545 -0.832146
C -1.996493 -0.524357 1.186467
C -4.524581 0.197888 -0.094158
C -3.096788 0.200625 1.990867
C -4.495095 -0.119217 1.417147
C -0.956048 0.006694 -2.498360
C -0.680933 -2.110565 -1.154707
C 0.392826 0.158132 -0.442736
C 1.659025 -0.584228 -0.105758
C 2.870372 -0.214318 -0.755171
C 1.691504 -1.602919 0.884488
C 1.237333 2.445955 0.014586
C 4.078713 -0.871450 -0.437082
C 2.906035 -2.241560 1.214200
C 4.101901 -1.885866 0.547373
C 1.055583 2.974688 1.433482
H -3.568106 -1.636500 -0.773732
H -3.398952 -0.247697 -1.896977
H -1.005248 -0.230827 1.579398
H -2.108689 -1.629723 1.348202
H -5.493630 -0.102016 -0.538445
H -4.404443 1.287487 -0.246534
H -2.914068 1.290964 1.934063
H -3.031328 -0.099532 3.054952
H -5.275531 0.454410 1.951879
H -4.720527 -1.195131 1.572590
H 0.017642 -0.091588 -3.011569
H -1.701203 -0.540974 -3.101150
H -1.219221 1.075945 -2.454179
H -0.651142 -2.608181 -0.171179
H 0.245448 -2.375392 -1.693555
H -1.533031 -2.531110 -1.718669
H 2.858913 0.589703 -1.498310
H 0.774969 -1.880892 1.415286
H 5.001806 -0.582648 -0.951180
H 2.919094 -3.015848 1.989248
H 5.041982 -2.390121 0.797226
H 1.392399 2.214217 2.163603
H -0.007853 3.189380 1.636613
H 1.655933 3.888081 1.562008


