%chk=000064385.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064385

0 1
 O  -0.3738000      -3.151300     -8.5500002E-02
 N    1.012200      -1.334800     -0.5107000    
 N    4.066300      0.5552000      8.8999998E-03
 C   -2.084100     -0.4310000     -0.6855000    
 C   -2.167700       1.574800      0.8619000    
 C   -3.793400     -0.3239000       1.182900    
 C   -4.017300       1.203500     -0.8089000    
 C   -1.250000      0.6465000      4.7200002E-02
 C   -2.871400      -1.246800      0.3671000    
 C   -3.094600      0.2764000      -1.619300    
 C   -2.942500      0.7405000       1.895400    
 C   -3.165200       2.260200     -8.6599998E-02
 C   -4.782900      0.3710000      0.2328000    
 C   -1.167800      -1.352500      -1.495100    
 C  -0.1610000      -2.066800     -0.6210000    
 C    2.147700      -1.775500      0.2669000    
 C    2.509000     -0.7966000       1.382500    
 C    2.909200      0.5988000      0.8946000    
 C    5.222000     -2.1199999E-02  0.6984000    
 C    4.387400       1.894800     -0.4866000    
 C    6.417100     -0.1340000     -0.2331000    
 C    3.200800       2.512900      -1.206600    
 H   -1.565400       2.332800       1.375200    
 H   -4.344900     -0.9133000       1.923900    
 H   -4.727300       1.697700      -1.481500    
 H  -0.5415000      0.1972000      0.7505000    
 H  -0.6682000       1.238000     -0.6710000    
 H   -3.468700      -2.026100     -0.1234000    
 H   -2.195900      -1.755800       1.064300    
 H   -2.562500      0.8610000      -2.380900    
 H   -3.698300     -0.4660000      -2.157100    
 H   -2.242800      0.2585000       2.589300    
 H   -3.586800       1.393800       2.496500    
 H   -3.813200       2.940500      0.4796000    
 H   -2.625100       2.871500     -0.8200000    
 H   -5.407300     -0.3772000     -0.2707000    
 H   -5.459600       1.017600      0.8048000    
 H  -0.6461000     -0.7894000      -2.279200    
 H   -1.754500      -2.121500      -2.013800    
 H    1.117200     -0.4794000      -1.047800    
 H    2.982000      -1.911200     -0.4286000    
 H    1.932400      -2.755100      0.7067000    
 H    1.626000     -0.6742000       2.025200    
 H    3.268500      -1.236400       2.036800    
 H    3.106500       1.234900       1.768000    
 H    2.029000       1.016600      0.3975000    
 H    5.498600      0.5559000       1.589700    
 H    5.018500      -1.046300       1.020300    
 H    4.717100       2.562500      0.3194000    
 H    5.191200       1.848100      -1.228400    
 H    6.144600     -0.5929000      -1.189800    
 H    6.892200      0.8331000     -0.4241000    
 H    7.181900     -0.7701000      0.2270000    
 H    2.744300       1.814300      -1.916300    
 H    2.432800       2.875100     -0.5161000    
 H    3.535600       3.385000      -1.780000    


%chk=000064385-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064385

0 1
O -0.223749 -2.894759 0.597064
N 1.464125 -1.516516 -0.217976
N 3.827849 0.552023 0.096287
C -1.861893 -0.361934 -0.548002
C -2.251494 1.678544 0.943697
C -3.960129 -0.194540 0.894874
C -3.696454 1.332792 -1.111271
C -1.188561 0.713107 0.355806
C -2.895538 -1.158111 0.303315
C -2.627980 0.369991 -1.693085
C -3.263307 0.863969 1.793885
C -3.000737 2.392459 -0.213855
C -4.711458 0.523833 -0.258940
C -0.791647 -1.296758 -1.192102
C 0.156373 -1.971828 -0.195375
C 2.516079 -2.050473 0.655332
C 2.893496 -1.093961 1.815532
C 3.082792 0.380128 1.379023
C 5.233691 0.055942 0.190773
C 3.790368 1.971857 -0.365750
C 5.865004 -0.243630 -1.182236
C 2.418584 2.422272 -0.900663
H -1.749904 2.432751 1.583099
H -4.680679 -0.778422 1.501362
H -4.226237 1.838925 -1.942991
H -0.639015 0.216620 1.181243
H -0.445181 1.285004 -0.239009
H -3.387694 -1.919379 -0.336121
H -2.372086 -1.711644 1.104084
H -1.909699 0.939840 -2.319276
H -3.112831 -0.379657 -2.352217
H -2.738289 0.362095 2.631365
H -4.018964 1.542845 2.238717
H -3.752778 3.095984 0.196572
H -2.286483 2.991127 -0.815916
H -5.231406 -0.221275 -0.894518
H -5.486984 1.201652 0.151895
H -0.210411 -0.711148 -1.933884
H -1.315108 -2.102341 -1.742983
H 1.741934 -0.741139 -0.825810
H 3.408260 -2.255176 0.034824
H 2.145125 -3.006608 1.063520
H 2.095460 -1.114772 2.581918
H 3.806340 -1.488340 2.303730
H 3.569241 0.948328 2.213390
H 2.081659 0.824208 1.236547
H 5.876030 0.778218 0.756033
H 5.223977 -0.877710 0.779693
H 4.115764 2.661726 0.455238
H 4.530588 2.077706 -1.178593
H 5.249574 -0.976129 -1.734002
H 5.960348 0.660860 -1.809490
H 6.879506 -0.664123 -1.052810
H 2.091427 1.764878 -1.726962
H 1.637468 2.414740 -0.120249
H 2.485936 3.455349 -1.289036


