%chk=000064656.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064656

0 1
 O   -1.079100      0.6781000      3.9200000E-02
 O  -0.4021000      -1.396300      0.7887000    
 N   -4.943200      0.1946000      -1.046200    
 N    3.597400     -0.3722000     -0.2755000    
 N    6.368500      0.3266000      0.1616000    
 C   -4.426800      -1.022000     -0.3910000    
 C   -4.811500       1.214200      1.1900000E-02
 C   -5.024000     -0.9803000       1.019900    
 C   -5.279600      0.5051000       1.287500    
 C   -2.891800     -0.8838000     -0.3698000    
 C   -3.316000       1.582300      7.4600004E-02
 C   -2.424800      0.3709000      0.3830000    
 C   -6.317200      4.3400001E-02  -1.518300    
 C  -0.1582000     -0.3030000      0.2971000    
 C    1.212600      0.1789000     -0.1217000    
 C    2.292200     -0.8605000      0.1651000    
 C    3.970200      0.8477000      0.4512000    
 C    4.625900      -1.405200     -0.1033000    
 C    5.339600       1.359800     -8.5000005E-03
 C    5.995000     -0.8936000     -0.5644000    
 C    7.673000      0.8153000     -0.2810000    
 H   -4.696000      -1.939700     -0.9261000    
 H   -5.393200       2.119700     -0.1943000    
 H   -4.363900      -1.422700       1.773200    
 H   -5.974400      -1.525900       1.053900    
 H   -6.352000      0.6673000       1.448600    
 H   -4.756100      0.8545000       2.183400    
 H   -2.508100     -0.8672000      -1.399200    
 H   -2.497000      -1.796900      8.5400000E-02
 H   -3.147600       2.355500      0.8348000    
 H   -3.007000       2.034900     -0.8777000    
 H   -2.462800      0.1860000       1.464700    
 H   -6.364600     -0.7307000      -2.292200    
 H   -6.657800      0.9744000      -1.984800    
 H   -7.031000     -0.2212000     -0.7315000    
 H    1.181400      0.4110000      -1.192400    
 H    1.371400       1.099400      0.4474000    
 H    2.299900      -1.114400       1.233600    
 H    2.041900      -1.781600     -0.3774000    
 H    3.982400      0.6746000       1.535700    
 H    3.275600       1.668600      0.2521000    
 H    4.369700      -2.287800     -0.7019000    
 H    4.686200      -1.727600      0.9452000    
 H    5.280300       1.683900      -1.056600    
 H    5.598100       2.240900      0.5914000    
 H    6.737600      -1.678500     -0.3763000    
 H    5.976300     -0.7145000      -1.648000    
 H    7.967800       1.699500      0.2950000    
 H    7.678200       1.079200      -1.344800    
 H    8.445400      5.7200000E-02 -0.1101000    


%chk=000064656-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064656

0 1
O -1.125364 0.522456 -0.055941
O -0.356921 -1.525454 0.762372
N -5.192535 0.567834 -0.942548
N 3.703958 -0.277803 0.084873
N 6.519266 0.435649 0.008828
C -4.630180 -0.821220 -0.888194
C -4.867740 1.069614 0.433143
C -5.085478 -1.393473 0.506952
C -5.246190 -0.114938 1.400333
C -3.087146 -0.703078 -0.988409
C -3.348996 1.386433 0.465649
C -2.543745 0.102327 0.210532
C -6.636314 0.616419 -1.271640
C -0.126169 -0.404998 0.246374
C 1.239283 0.129217 -0.153487
C 2.370957 -0.478432 0.699662
C 4.141342 1.141797 0.078222
C 4.736992 -1.124355 0.736756
C 5.493546 1.285613 -0.639369
C 6.085633 -0.981532 0.014503
C 7.857076 0.613954 -0.584958
H -5.011998 -1.417246 -1.735099
H -5.441011 1.988762 0.645080
H -4.346825 -2.104907 0.916741
H -6.043886 -1.933797 0.411607
H -6.285733 -0.007342 1.756999
H -4.595488 -0.139859 2.292867
H -2.839051 -0.171721 -1.924881
H -2.619218 -1.704137 -1.012054
H -3.061608 1.827607 1.438234
H -3.127992 2.121418 -0.328389
H -2.520283 -0.540786 1.109769
H -6.787973 0.213649 -2.288911
H -6.970891 1.669101 -1.273607
H -7.297082 0.046572 -0.574627
H 1.419682 -0.151498 -1.210915
H 1.211086 1.230902 -0.114132
H 2.320701 -0.061946 1.738806
H 2.188973 -1.565080 0.782024
H 4.239972 1.539674 1.120738
H 3.389021 1.752567 -0.452496
H 4.405648 -2.178761 0.695026
H 4.876873 -0.845655 1.811893
H 5.357272 1.014362 -1.718246
H 5.824522 2.340298 -0.590834
H 6.849996 -1.584417 0.540272
H 5.982010 -1.383509 -1.026358
H 8.160157 1.673926 -0.509121
H 7.907984 0.316276 -1.663877
H 8.594666 0.007420 -0.028964


