%chk=000076272.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076272

0 1
 O    5.420600     -0.1846000     -0.6088000    
 O    4.639200      -2.227800     -0.4261000    
 N   -3.871500     -0.2649000     -1.8800000E-02
 N  -0.4575000       1.087600      0.6385000    
 N    1.129300       2.611600      0.2856000    
 N   0.8366000     -0.9485000      0.3771000    
 N    4.474400     -0.9834000     -0.4012000    
 C   -2.574200      0.3122000     -0.3482000    
 C   -1.761500      0.5394000      0.9231000    
 C   -3.706400      -1.549600      0.6639000    
 C   -4.683300     -0.4326000      -1.225600    
 C   0.6902000      0.3867000      0.3976000    
 C    1.664800       1.350900      0.1807000    
 C  -0.1433000       2.417900      0.5606000    
 C   -5.049400      -2.130800       1.072500    
 C   -4.868000      0.8894000      -1.951200    
 C    2.966400      0.9128000     -9.5500000E-02
 C    3.182300     -0.4651000     -0.1305000    
 C    2.111400      -1.321400      0.1064000    
 H   -2.678200       1.293200     -0.8240000    
 H   -2.017900     -0.3268000      -1.047500    
 H   -1.558200     -0.3728000       1.489200    
 H   -2.273600       1.236600       1.597900    
 H   -3.155800      -2.274400      5.1300000E-02
 H   -3.169500      -1.437200       1.608500    
 H   -4.250000      -1.171300      -1.911800    
 H   -5.691800     -0.7713000     -0.9674000    
 H  -0.8787000       3.196700      0.7110000    
 H   -4.893500      -2.958800       1.773500    
 H   -5.676400      -1.389000       1.579400    
 H   -5.602400      -2.544200      0.2235000    
 H   -5.666800      0.7889000      -2.695100    
 H   -5.161700       1.693100      -1.267200    
 H   -3.972300       1.195200      -2.500700    
 H    3.753600       1.638300     -0.2699000    
 H    2.233500      -2.402100      8.9500003E-02


%chk=000076272-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076272

0 1
O 5.530274 -0.465362 -0.192710
O 4.594505 -2.435293 0.481931
N -3.762509 -0.459498 -0.266892
N -0.440869 1.279850 0.298912
N 1.290505 2.658098 -0.354797
N 0.799439 -0.818672 0.654652
N 4.517526 -1.185621 0.160540
C -2.481635 0.162992 -0.658861
C -1.808940 0.806905 0.583189
C -3.599908 -1.864761 0.203439
C -4.854632 -0.281816 -1.260558
C 0.708822 0.492316 0.314074
C 1.784647 1.363776 -0.090456
C -0.028831 2.557970 -0.114278
C -4.684013 -2.292246 1.210212
C -5.418100 1.151592 -1.280962
C 3.080876 0.824224 -0.151307
C 3.187677 -0.540882 0.199613
C 2.059394 -1.324754 0.592122
H -2.663942 0.946433 -1.416751
H -1.773268 -0.570035 -1.110562
H -1.742773 0.061360 1.393563
H -2.417406 1.653501 0.942380
H -3.580437 -2.575838 -0.659642
H -2.609732 -1.945716 0.690191
H -4.524945 -0.575334 -2.288598
H -5.669604 -0.974685 -0.984682
H -0.737602 3.378921 -0.211447
H -4.501725 -3.327138 1.554418
H -4.676941 -1.620910 2.086537
H -5.695920 -2.261896 0.767242
H -6.246076 1.230891 -2.009671
H -5.798622 1.424022 -0.281208
H -4.651363 1.894301 -1.569851
H 3.959269 1.403119 -0.445808
H 2.197258 -2.375915 0.856327


