%chk=000051102.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051102

0 1
 O   -3.885700      0.3804000      -1.035600    
 N   -2.636700      0.5487000      0.9135000    
 N   -2.267400       1.834200      0.6424000    
 N  -4.3600000E-02   1.125200      0.3923000    
 N  -0.7097000       3.320600     -0.3010000    
 N   0.5477000       3.598000     -0.7043000    
 C   -1.730400      -2.523800     -0.6002000    
 C   -2.572100      -2.402400      0.6738000    
 C  -0.4974000      -3.397300     -0.3682000    
 C   -3.794100      -1.506200      0.4801000    
 C   0.3661000      -3.484900      -1.616400    
 C   -3.454600     -0.1026000      8.2000000E-03
 C    2.190300      0.4034000      0.1488000    
 C    1.196100       1.432600     -1.8200001E-02
 C  -0.9565000       2.101200      0.2292000    
 C    3.271300      0.3195000     -0.7339000    
 C    2.081200     -0.5178000       1.194700    
 C    1.496500       2.654900     -0.5622000    
 C    4.234200     -0.6766000     -0.5724000    
 C    3.044300      -1.513900       1.356400    
 C    4.120700      -1.593200      0.4728000    
 H   -2.340900      -2.950600      -1.405100    
 H   -1.402000      -1.532900     -0.9343000    
 H   -2.911800      -3.398300      0.9833000    
 H   -1.946500      -2.018800       1.488400    
 H   0.1009000      -2.988000      0.4536000    
 H  -0.8073000      -4.406200     -7.1900003E-02
 H   -4.350400      -1.427600       1.421500    
 H   -4.469300      -1.955600     -0.2576000    
 H  -0.1937000      -3.917500      -2.451600    
 H    1.240100      -4.116500      -1.428700    
 H   0.7224000      -2.494300      -1.916700    
 H   -2.319300      0.1681000       1.798100    
 H   -2.991500       2.527900      0.5109000    
 H    3.385500      0.9990000      -1.574600    
 H    1.259000     -0.4791000       1.905500    
 H    2.484000       2.956000     -0.8868000    
 H    5.069700     -0.7422000      -1.263200    
 H    2.956600      -2.227400       2.170500    
 H    4.869800      -2.369600      0.5979000    


%chk=000051102-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051102

0 1
O -3.467348 0.286705 -1.193218
N -2.760166 0.792905 0.968769
N -2.278021 2.053450 0.630931
N -0.048895 1.283744 0.311145
N -0.775012 3.567057 -0.280397
N 0.480068 3.865423 -0.721484
C -1.737306 -2.737043 -0.405399
C -2.551744 -2.376802 0.856844
C -0.642304 -3.791657 -0.125572
C -3.746579 -1.421598 0.576362
C 0.191147 -4.137360 -1.378483
C -3.321000 -0.066357 0.007238
C 2.265544 0.563526 -0.014422
C 1.212725 1.602994 -0.123494
C -0.981018 2.271543 0.194272
C 3.646182 0.884060 -0.135782
C 1.891384 -0.788646 0.213813
C 1.453164 2.901604 -0.660733
C 4.625374 -0.125917 -0.036486
C 2.870751 -1.797103 0.306569
C 4.242091 -1.470213 0.181603
H -2.424145 -3.121059 -1.187077
H -1.275950 -1.821746 -0.827181
H -2.957618 -3.305002 1.306833
H -1.876353 -1.930533 1.615897
H 0.027982 -3.421046 0.678625
H -1.116082 -4.712775 0.271528
H -4.327518 -1.269644 1.507368
H -4.419367 -1.878151 -0.169510
H -0.454329 -4.532894 -2.184833
H 0.959452 -4.901490 -1.157581
H 0.706235 -3.241393 -1.772244
H -2.565889 0.465146 1.917339
H -2.957688 2.785439 0.408941
H 3.964638 1.920996 -0.286156
H 0.827014 -1.021372 0.310438
H 2.418483 3.207845 -1.066674
H 5.685585 0.134528 -0.124581
H 2.567766 -2.836903 0.471547
H 5.004247 -2.253858 0.254243


