%chk=000014704.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014704

0 1
 O   -5.649200      -1.009900     -6.5000001E-03
 N   -2.834700     -0.6072000     -0.1406000    
 N  -0.2573000       3.407100      -1.482000    
 C   0.4785000       1.415600      0.1081000    
 C  -0.8342000      0.6575000      0.5210000    
 C    1.170900       2.038900       1.393900    
 C   -1.646000      7.4299999E-02 -0.6487000    
 C    1.460200      0.4257000     -0.5626000    
 C   -3.713000      0.3341000      0.5679000    
 C   -3.570900      -1.257200      -1.233700    
 C   0.2272000       2.936700       2.216600    
 C    2.457900       2.829100       1.099200    
 C    1.936000     -0.6631000      0.1373000    
 C   6.8800002E-02   2.531100     -0.7935000    
 C    1.799100      0.7182000      -1.860800    
 C   -4.951200     -0.3974000       1.078300    
 C   -4.813100      -1.950500     -0.6815000    
 C    2.831000      -1.531000     -0.5325000    
 C    2.678900     -0.1355000      -2.519500    
 C    1.574500     -0.9411000       1.465600    
 C    3.192300      -1.253200      -1.861000    
 C    3.338000      -2.651400      0.1457000    
 C    2.088100      -2.058700       2.124100    
 C    2.968300      -2.912200       1.465300    
 H  -0.7348000     -0.1150000       1.277800    
 H   -1.460400       1.424700      0.9865000    
 H    1.508400       1.310500       2.121500    
 H   -1.925000      0.8558000      -1.365500    
 H   -1.024000     -0.6533000      -1.182700    
 H   -4.016600       1.153500     -9.6299998E-02
 H   -3.242500      0.7613000       1.456800    
 H   -2.938500      -2.003400      -1.728300    
 H   -3.871600     -0.5145000      -1.984300    
 H   0.7715000       3.414000       3.040100    
 H  -0.2127000       3.737700       1.614900    
 H  -0.5787000       2.359300       2.678700    
 H    2.262200       3.697800      0.4624000    
 H    2.907200       3.199200       2.028000    
 H    3.210700       2.205900      0.6072000    
 H    1.442400       1.563400      -2.434200    
 H   -4.693700      -1.159200       1.824300    
 H   -5.635300      0.3131000       1.553700    
 H   -5.394200      -2.383200      -1.502100    
 H   -4.550500      -2.765100      4.4000000E-03
 H    2.967300      6.6900000E-02  -3.547100    
 H   0.8898000     -0.3941000       2.088600    
 H    3.878600      -1.906800      -2.395400    
 H    4.026900      -3.332400     -0.3497000    
 H    1.797600      -2.268400       3.149700    
 H    3.366700      -3.782800       1.978100    


%chk=000014704-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014704

0 1
O -5.728918 -1.177748 -0.224903
N -2.914680 -0.489737 0.033247
N -0.330028 3.575120 -1.157400
C 0.455021 1.483327 0.323164
C -0.899269 0.790848 0.750718
C 1.215382 2.114627 1.579071
C -1.563509 -0.031704 -0.373202
C 1.394386 0.532483 -0.480609
C -3.956890 0.560111 -0.119631
C -3.346020 -1.732152 -0.660432
C 0.303912 3.029183 2.431009
C 2.492852 2.873346 1.149328
C 1.922056 -0.705757 0.073587
C 0.044203 2.628835 -0.533294
C 1.762741 0.889060 -1.786730
C -5.294669 0.058963 0.447119
C -4.687872 -2.209711 -0.081248
C 2.814508 -1.513593 -0.747738
C 2.635268 0.091446 -2.585127
C 1.625316 -1.208825 1.389833
C 3.156462 -1.092407 -2.073352
C 3.354237 -2.739059 -0.231896
C 2.162471 -2.407770 1.863887
C 3.040070 -3.186341 1.050225
H -0.741321 0.132341 1.620451
H -1.593553 1.582660 1.082756
H 1.528501 1.260391 2.207618
H -1.595195 0.567368 -1.317371
H -0.946967 -0.924502 -0.582692
H -4.093628 0.836859 -1.195377
H -3.651136 1.472321 0.425064
H -2.579527 -2.514810 -0.505023
H -3.461127 -1.573097 -1.762196
H 0.885774 3.448387 3.271875
H -0.081502 3.877334 1.835364
H -0.556136 2.486388 2.860273
H 2.244337 3.747127 0.518313
H 3.025942 3.244863 2.043258
H 3.185351 2.226456 0.583662
H 1.375277 1.817383 -2.218597
H -5.190332 -0.124988 1.538416
H -6.101422 0.788871 0.268050
H -5.067849 -3.089523 -0.626517
H -4.556718 -2.461366 0.993545
H 2.887851 0.423146 -3.597590
H 0.957468 -0.654729 2.049808
H 3.830556 -1.716929 -2.671181
H 4.024473 -3.322297 -0.874730
H 1.906963 -2.753803 2.871476
H 3.457789 -4.123596 1.432916


