%chk=000016234.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016234

0 1
 O   0.3324000      5.3500000E-02  0.1990000    
 O  -0.8006000       1.692500       1.318600    
 N   -1.972000     -1.8800000E-02  0.2232000    
 N    3.995300      0.4702000      0.3366000    
 C   -1.894600      -1.238900     -0.5858000    
 C   -3.286100      0.4465000      0.5711000    
 C   -1.827900      -2.500400      0.2686000    
 C   -3.854200       1.412100     -0.4635000    
 C    2.716900     -0.1367000     -2.9000000E-03
 C   -1.719300      -3.774800     -0.5717000    
 C   -5.242600       1.931600     -8.2999997E-02
 C    1.567500      0.6762000      0.5712000    
 C  -0.8106000      0.6664000      0.6407000    
 C    5.078400     -0.5109000      0.2344000    
 C    4.270400       1.618500     -0.5306000    
 C   -1.593800      -5.009900      0.3065000    
 C   -5.757500       2.936900      -1.101300    
 C    5.228600      -1.016300      -1.190400    
 C    5.569800       2.302300     -0.1406000    
 H   -1.015300      -1.188800      -1.237500    
 H   -2.767300      -1.273400      -1.248900    
 H   -3.226700      0.9602000       1.538300    
 H   -3.952200     -0.4130000      0.7085000    
 H  -0.9657000      -2.435900      0.9445000    
 H   -2.716800      -2.560400      0.9088000    
 H   -3.168400       2.260600     -0.5835000    
 H   -3.906500      0.9179000      -1.441700    
 H    2.634700      -1.147100      0.4211000    
 H    2.569500     -0.2556000      -1.084300    
 H  -0.8447000      -3.712300      -1.229600    
 H   -2.602800      -3.872400      -1.212900    
 H   -5.945300       1.093400     -1.2100000E-02
 H   -5.203500       2.408100      0.9034000    
 H    1.636500      0.7102000       1.665400    
 H    1.559600       1.698700      0.1810000    
 H    4.859700      -1.360200      0.8949000    
 H    6.028900     -0.1159000      0.6081000    
 H    3.486900       2.371900     -0.3918000    
 H    4.263500       1.382900      -1.600700    
 H  -0.6991000      -4.955600      0.9350000    
 H   -1.519700      -5.909200     -0.3129000    
 H   -2.466400      -5.117500      0.9588000    
 H   -5.091600       3.803200      -1.169000    
 H   -6.750800       3.293900     -0.8123000    
 H   -5.834800       2.484000      -2.094900    
 H    5.988600      -1.807300      -1.199600    
 H    5.586200     -0.2526000      -1.886500    
 H    4.319000      -1.469700      -1.593700    
 H    5.632900       3.278200     -0.6353000    
 H    6.453200       1.736600     -0.4514000    
 H    5.625300       2.481800      0.9387000    


%chk=000016234-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016234

0 1
O 0.350024 -0.039874 0.186073
O -0.808404 1.667834 1.320420
N -1.955532 -0.057712 0.213296
N 4.049521 0.514276 0.128751
C -1.912617 -1.293036 -0.599463
C -3.271523 0.489110 0.612649
C -1.866159 -2.583059 0.252742
C -3.852259 1.484527 -0.417975
C 2.739548 -0.114016 -0.167057
C -1.877506 -3.859577 -0.618416
C -5.256865 1.988274 -0.015765
C 1.621227 0.614757 0.592497
C -0.823806 0.610082 0.629891
C 5.164804 -0.450105 0.297154
C 4.340948 1.683594 -0.739322
C -1.830112 -5.153555 0.222703
C -5.837798 2.999636 -1.027370
C 5.620661 -1.205524 -0.982416
C 5.475572 2.574662 -0.200996
H -1.029929 -1.255414 -1.259618
H -2.814254 -1.303581 -1.243597
H -3.153106 0.996122 1.586417
H -3.966650 -0.362198 0.751387
H -0.951650 -2.562587 0.876238
H -2.730693 -2.600495 0.947512
H -3.158454 2.342142 -0.508934
H -3.903559 1.001179 -1.415376
H 2.760059 -1.169126 0.162027
H 2.495538 -0.120955 -1.255509
H -1.012009 -3.836205 -1.311695
H -2.786742 -3.864861 -1.254678
H -5.945652 1.123430 0.080903
H -5.202485 2.458217 0.987232
H 1.753778 0.518991 1.684065
H 1.573678 1.689880 0.343942
H 4.850365 -1.185986 1.061742
H 6.027570 0.090487 0.728311
H 3.416919 2.289283 -0.794620
H 4.574670 1.376775 -1.790558
H -0.918354 -5.184847 0.848228
H -1.832133 -6.054044 -0.418569
H -2.702546 -5.218140 0.899887
H -5.184458 3.887607 -1.116089
H -6.841547 3.347197 -0.721041
H -5.928211 2.547935 -2.033374
H 6.428002 -1.920164 -0.735720
H 6.008933 -0.511211 -1.749746
H 4.786274 -1.777227 -1.429267
H 5.570284 3.484733 -0.821404
H 6.452984 2.059504 -0.216316
H 5.260652 2.877964 0.838824


