%chk=000064627.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064627

0 1
 O   -2.181500      -2.852400     -0.1038000    
 O   -4.156100       1.372000     -0.6534000    
 N   0.4205000      -1.391000     -7.4600004E-02
 N   0.5764000      0.8230000     -0.2841000    
 N   -1.838200       1.254300     -0.4873000    
 N   -3.197500     -0.7475000     -0.3793000    
 C    2.760400     -0.4466000     -1.5000000E-02
 C    3.584200      0.9108000     -5.6200001E-02
 C    4.605300     -0.5705000       1.486300    
 C    4.881300     -0.7950000      -1.057100    
 C    3.175200      -1.091000       1.331400    
 C    3.435300      -1.290100      -1.126400    
 C    4.352100      0.9240000       1.276000    
 C    4.626600      0.7061000      -1.167900    
 C    5.489700      -1.123300      0.3345000    
 C    1.254200     -0.2998000     -0.1278000    
 C  -0.8577000     -0.9286000     -0.2048000    
 C  -0.7336000      0.4280000     -0.3316000    
 C   -2.098800      -1.632900     -0.2178000    
 C   -3.136500      0.6863000     -0.5170000    
 C   -1.655100       2.694500     -0.6187000    
 C   -4.525200      -1.351300     -0.4087000    
 C   -1.683100       3.359700      0.7551000    
 C   -5.102900      -1.430000       1.002300    
 C   -1.515500       4.867300      0.6440000    
 C   -6.479600      -2.076300       1.001700    
 H    2.998600       1.821800     -0.2040000    
 H    5.031900     -0.7938000       2.467700    
 H    5.499700      -1.181200      -1.871600    
 H    3.124800      -2.185500       1.321700    
 H    2.544700     -0.7395000       2.158700    
 H    2.992500      -1.079100      -2.108400    
 H    3.353200      -2.369300     -0.9555000    
 H    3.725000       1.332900       2.077500    
 H    5.276600       1.509300       1.238500    
 H    5.533500       1.303100      -1.028700    
 H    4.200800      0.9623000      -2.145600    
 H    6.493900     -0.6886000      0.4051000    
 H    5.591800      -2.209700      0.4413000    
 H   0.7030000      -2.355700      3.9000001E-02
 H  -0.7142000       2.901900      -1.141600    
 H   -2.463600       3.098100      -1.239600    
 H   -5.186900     -0.7632000      -1.054700    
 H   -4.461000      -2.355900     -0.8426000    
 H   -2.629800       3.138300       1.262400    
 H  -0.8844000       2.954200       1.387400    
 H   -4.434800      -2.007300       1.652500    
 H   -5.175200     -0.4262000       1.437300    
 H  -0.5605000       5.121500      0.1731000    
 H   -2.321300       5.308600      4.8799999E-02
 H   -1.537100       5.325200       1.637800    
 H   -7.182000      -1.502000      0.3892000    
 H   -6.433800      -3.096700      0.6079000    
 H   -6.876700      -2.122800       2.020500    


%chk=000064627-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064627

0 1
O -2.266530 -2.939256 0.415659
O -4.152770 1.217484 -0.820783
N 0.469603 -1.479213 0.180541
N 0.621464 0.708827 -0.409277
N -1.820384 1.090599 -0.679852
N -3.196599 -0.851124 -0.233074
C 2.815114 -0.503601 0.028825
C 3.519193 0.783937 0.696550
C 4.754526 -1.189803 1.268054
C 4.920384 -0.061947 -1.053972
C 3.348278 -1.710558 0.870801
C 3.508265 -0.611659 -1.380075
C 4.356640 0.186882 1.865166
C 4.520067 1.280672 -0.386862
C 5.628056 -0.987554 -0.012091
C 1.324574 -0.409747 -0.055836
C -0.840064 -1.037977 -0.032026
C -0.709225 0.310811 -0.392179
C -2.096580 -1.723979 0.082662
C -3.116380 0.528737 -0.588738
C -1.680450 2.528014 -1.020025
C -4.565770 -1.427607 -0.133756
C -1.726352 3.436170 0.229030
C -5.194835 -1.208431 1.259979
C -1.580095 4.923091 -0.156678
C -6.605821 -1.828750 1.336395
H 2.786829 1.546290 1.002072
H 5.267885 -1.851510 1.988889
H 5.549266 0.063286 -1.954041
H 3.376010 -2.651859 0.290696
H 2.745616 -1.877605 1.785503
H 3.003642 0.035668 -2.119992
H 3.502712 -1.649066 -1.761057
H 3.752768 0.046021 2.782114
H 5.220832 0.825118 2.122446
H 5.371134 1.827886 0.057132
H 4.031634 1.944798 -1.123916
H 6.603444 -0.546374 0.272712
H 5.840860 -1.972108 -0.474566
H 0.729041 -2.425653 0.456638
H -0.716407 2.646130 -1.544456
H -2.507534 2.783965 -1.703489
H -5.185905 -0.948414 -0.909488
H -4.470830 -2.507035 -0.340669
H -2.686785 3.274635 0.753098
H -0.913505 3.142438 0.919990
H -4.540062 -1.664635 2.026194
H -5.248230 -0.122777 1.463686
H -0.619270 5.110791 -0.672016
H -2.396218 5.241880 -0.831701
H -1.613464 5.568910 0.738881
H -7.282081 -1.373204 0.588902
H -6.573446 -2.918205 1.147615
H -7.053646 -1.672991 2.334283


