%chk=000052568.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052568

0 1
 O    1.632400     -0.6139000      0.6342000    
 O    1.854700      0.2718000      -1.492000    
 N   -3.563200      -1.883600     -0.5709000    
 N    3.649400      0.4123000     -1.9300001E-02
 N   -3.767700       3.898300      0.3426000    
 C   -2.009100     -0.4922000      0.2203000    
 C   -3.285100      0.1294000      0.3223000    
 C   -2.211700      -1.753800     -0.3430000    
 C   -3.566700       1.475800      0.8594000    
 C   -4.220100     -0.7504000     -0.1724000    
 C  -0.6972000     -0.1013000      0.5542000    
 C   0.3609000     -0.9850000      0.3130000    
 C   -1.163700      -2.647800     -0.5899000    
 C   -3.514900       2.575100     -0.2176000    
 C   0.1290000      -2.238200     -0.2505000    
 C    4.512400       1.102600     -0.9671000    
 C    4.225600      0.1452000       1.294600    
 C    2.349500      4.8000000E-02 -0.3878000    
 C    4.361300       2.606100     -0.8617000    
 C    4.924100      -1.198400       1.331500    
 H   -4.557700       1.481500       1.332600    
 H   -2.851800       1.711900       1.658300    
 H   -5.293400     -0.6734000     -0.2777000    
 H   -4.005500      -2.697700     -0.9746000    
 H  -0.5054000      0.8740000      0.9934000    
 H   -1.343200      -3.623700      -1.028400    
 H   -4.260200       2.370700     -0.9949000    
 H   -2.532900       2.575400     -0.7053000    
 H   0.9614000      -2.914500     -0.4315000    
 H    4.245900      0.7902000      -1.983100    
 H    5.552600      0.8040000     -0.7987000    
 H    3.428600      0.1560000       2.045600    
 H    4.922400      0.9494000       1.555300    
 H    3.327900       2.913900      -1.053400    
 H    4.634600       2.964200      0.1361000    
 H    5.006400       3.106000      -1.590800    
 H    4.230000      -2.011000       1.092900    
 H    5.744600      -1.239700      0.6079000    
 H    5.338700      -1.385300       2.326900    
 H   -3.664700       4.600300     -0.3889000    
 H   -3.062000       4.112200       1.046100    


%chk=000052568-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052568

0 1
O 1.617717 -0.200855 0.195547
O 2.520508 -0.390630 -1.995373
N -3.590726 -1.948207 -0.793904
N 3.801532 0.391675 -0.190374
N -3.949803 3.690945 1.251794
C -2.074787 -0.475732 0.070745
C -3.407982 -0.022903 0.437600
C -2.219451 -1.684423 -0.699202
C -3.761846 1.213860 1.225492
C -4.298922 -0.947889 -0.108489
C -0.770367 0.023225 0.326809
C 0.325279 -0.689213 -0.183077
C -1.107747 -2.390780 -1.208729
C -3.574440 2.528205 0.421298
C 0.178307 -1.884822 -0.942648
C 4.999711 0.560726 -1.045526
C 3.899635 0.736890 1.247141
C 2.653529 -0.089864 -0.781095
C 5.110869 1.980429 -1.640315
C 4.282886 -0.471968 2.127703
H -4.812276 1.177601 1.566929
H -3.134296 1.270037 2.140342
H -5.386297 -0.966711 -0.054966
H -4.007192 -2.741379 -1.275322
H -0.601172 0.934430 0.908395
H -1.227814 -3.307045 -1.796883
H -4.242329 2.501579 -0.459582
H -2.529769 2.564524 0.029164
H 1.064727 -2.389523 -1.332379
H 4.941524 -0.180021 -1.860791
H 5.888902 0.325258 -0.430571
H 2.934375 1.149726 1.580749
H 4.659343 1.535810 1.342429
H 4.246024 2.187608 -2.293401
H 5.143122 2.749564 -0.846836
H 6.032234 2.072778 -2.244481
H 3.501159 -1.248079 2.067928
H 5.243339 -0.914468 1.805865
H 4.384342 -0.161400 3.184134
H -4.047757 4.569054 0.733215
H -3.367892 3.806390 2.088364


