%chk=000034877.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034877

0 1
 O   -3.911800      0.6394000       1.828300    
 N   0.5413000      0.7552000     -0.2806000    
 N    3.294400      6.5000001E-03 -0.1419000    
 C   -1.693500      0.7361000      0.8393000    
 C   -3.207900      0.4379000      0.5891000    
 C   -3.680500       1.524000     -0.4244000    
 C  -0.8920000      0.5412000     -0.4769000    
 C   -2.922400       1.420200      -1.765300    
 C   -1.528100       2.128300       1.501700    
 C   -1.398700       1.392000      -1.647800    
 C   -3.564600       2.938000      0.1909000    
 C   -2.192500       3.283100      0.7601000    
 C   -3.518700      -1.021800      0.2252000    
 C    1.034300     -5.6299999E-02  0.8393000    
 C    1.283700      0.4230000      -1.502700    
 C    2.521700      0.2019000       1.091200    
 C    2.779900      0.6960000      -1.329000    
 C   -4.647900      -1.322800     -0.5335000    
 C   -2.670200      -2.040200      0.6546000    
 C   -4.930100      -2.648200     -0.8641000    
 C   -2.952500      -3.365500      0.3238000    
 C    4.666000     -0.2451000     -2.5400000E-02
 C   -4.082500      -3.669400     -0.4355000    
 C    5.140600      -1.369800      0.6788000    
 C    5.614400      0.6190000     -0.6085000    
 C    6.507800      -1.620100      0.7954000    
 C    6.981600      0.3686000     -0.4921000    
 C    7.428300     -0.7510000      0.2100000    
 H   -1.365000      4.1000001E-02   1.614800    
 H   -4.750200       1.409900     -0.6360000    
 H   -1.026600     -0.5031000     -0.7884000    
 H   -3.218900       2.242000      -2.428600    
 H   -3.240000      0.5021000      -2.275300    
 H  -0.4693000       2.366300       1.654400    
 H   -1.958200       2.084000       2.511500    
 H   -1.036100      0.9953000      -2.604000    
 H   -1.013700       2.414500      -1.592700    
 H   -4.302400       3.028300      0.9990000    
 H   -3.848600       3.694200     -0.5513000    
 H   -1.536400       3.638800     -3.8699999E-02
 H   -2.290600       4.138800       1.440100    
 H   -4.866000      0.6161000       1.640700    
 H   0.8710000      -1.126100      0.6524000    
 H   0.5607000      0.1959000       1.790400    
 H   0.9800000       1.040500      -2.352700    
 H    1.132200     -0.6286000      -1.781200    
 H    2.672600       1.227900       1.451600    
 H    2.856000     -0.4730000       1.887800    
 H    3.297300      0.3488000      -2.232100    
 H    2.949900       1.776400      -1.234700    
 H   -5.343600     -0.5628000     -0.8699000    
 H   -1.792800      -1.868200       1.265300    
 H   -5.812400      -2.885900      -1.451300    
 H   -2.295900      -4.162100      0.6617000    
 H   -4.303400      -4.701600     -0.6910000    
 H    4.441200      -2.068300       1.133000    
 H    5.304300       1.508000      -1.152000    
 H    6.855800      -2.493300       1.339600    
 H    7.698800       1.046500     -0.9454000    
 H    8.492900     -0.9458000      0.3007000    


%chk=000034877-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034877

0 1
O -3.898925 0.630455 1.916504
N 0.547458 0.671048 -0.234365
N 3.401642 0.011428 -0.127753
C -1.742254 0.684534 0.835223
C -3.259128 0.451243 0.570181
C -3.733063 1.570882 -0.401594
C -0.922760 0.460525 -0.477320
C -2.966793 1.447383 -1.750430
C -1.517365 2.063230 1.520077
C -1.420393 1.370501 -1.633748
C -3.588553 2.959985 0.279549
C -2.157267 3.269382 0.786092
C -3.611699 -0.987303 0.127137
C 1.098614 -0.245178 0.798699
C 1.365404 0.521450 -1.466342
C 2.571707 0.076837 1.094661
C 2.849865 0.840398 -1.213434
C -4.600283 -1.266150 -0.853365
C -3.033437 -2.092317 0.811123
C -4.978220 -2.594148 -1.157879
C -3.402625 -3.419011 0.508335
C 4.802856 -0.175824 -0.026776
C -4.377197 -3.679070 -0.483842
C 5.360461 -1.024005 0.980823
C 5.710545 0.435556 -0.946314
C 6.748231 -1.250710 1.053996
C 7.098484 0.192345 -0.867841
C 7.636307 -0.649787 0.130196
H -1.432779 -0.082766 1.568263
H -4.814661 1.437736 -0.616820
H -1.094756 -0.604834 -0.785649
H -3.234383 2.308438 -2.394137
H -3.318604 0.542890 -2.281561
H -0.428759 2.228721 1.623827
H -1.950062 1.995569 2.534534
H -1.037390 0.991671 -2.599892
H -0.987643 2.376187 -1.494791
H -4.281931 2.986839 1.140966
H -3.918848 3.743787 -0.431287
H -1.515863 3.588358 -0.054525
H -2.198101 4.131618 1.480198
H -4.820910 0.269330 1.859859
H 1.010403 -1.315541 0.478937
H 0.538094 -0.121812 1.739948
H 1.005368 1.222608 -2.236324
H 1.284836 -0.517547 -1.879740
H 2.628734 1.096605 1.541313
H 2.943054 -0.638641 1.844207
H 3.400289 0.631073 -2.146989
H 2.954612 1.927145 -0.984191
H -5.091555 -0.448472 -1.389920
H -2.300454 -1.911924 1.603992
H -5.742256 -2.778225 -1.921802
H -2.937690 -4.250428 1.050323
H -4.666332 -4.708919 -0.721144
H 4.708179 -1.534150 1.696543
H 5.343965 1.121826 -1.714887
H 7.137800 -1.913284 1.836069
H 7.764397 0.680475 -1.589525
H 8.714333 -0.831313 0.190310


