%chk=000103793.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103793

0 1
 O   0.2254000      -1.186800      7.6399997E-02
 N    3.872900     -0.6704000     -4.3900002E-02
 C    2.584200      -1.312700     -0.2999000    
 C  -0.8726000     -0.5093000      0.6720000    
 C    1.457200     -0.5386000      0.3649000    
 C    4.131100     -0.5974000       1.393700    
 C    4.948300      -1.395000     -0.7201000    
 C  -0.8911000      0.9567000      0.2847000    
 C   -2.168400      -1.222900      0.3470000    
 C    5.439400      0.1243000       1.653400    
 C    4.673500      -1.466600      -2.209800    
 C  -0.6942000       1.913000       1.263400    
 C   -1.104000       1.300100      -1.037300    
 C   -3.215100      -1.164900       1.249900    
 C   -2.275600      -1.916700     -0.8451000    
 C  -0.9241000       3.629300     -0.4212000    
 C  -0.7110000       3.261600      0.9073000    
 C   -1.120600       2.648600      -1.393500    
 C   -4.408500      -1.822400      0.9508000    
 C   -3.468900      -2.574100      -1.144300    
 C   -4.535200      -2.526900     -0.2463000    
 C  -0.9427000       5.070900     -0.8020000    
 H    2.338800      -1.334300      -1.367300    
 H    2.571500      -2.356400      4.2100001E-02
 H  -0.7327000     -0.6004000       1.759200    
 H    1.552000     -0.5249000       1.453700    
 H    1.483800      0.4858000     -2.0400001E-02
 H    3.380700      9.3000000E-03   1.906800    
 H    4.144800      -1.587600       1.865600    
 H    5.900900     -0.8653000     -0.6188000    
 H    5.083200      -2.406600     -0.3173000    
 H    6.313400     -0.4975000       1.435800    
 H    5.513500       1.057300       1.083700    
 H    5.507300      0.3881000       2.715200    
 H    3.913600      -2.212400      -2.463400    
 H    4.376900     -0.4954000      -2.621500    
 H    5.586900      -1.772000      -2.733600    
 H  -0.5270000       1.638800       2.300700    
 H   -1.243000      0.5545000      -1.813100    
 H   -3.126600     -0.6176000       2.183800    
 H   -1.462600      -1.964400      -1.563200    
 H  -0.5583000       4.016400       1.674100    
 H   -1.285800       2.922700      -2.432200    
 H   -5.239000      -1.785300       1.649700    
 H   -3.568600      -3.121600      -2.077000    
 H   -5.464500      -3.038400     -0.4795000    
 H  -0.5847000       5.213500      -1.827300    
 H   -1.960700       5.466000     -0.7278000    
 H  -0.2891000       5.660500     -0.1501000    


%chk=000103793-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103793

0 1
O 0.239522 -1.095700 0.095399
N 3.980494 -1.039980 0.082503
C 2.599459 -1.461667 -0.264256
C -0.869649 -0.360812 0.736097
C 1.567619 -0.556246 0.423913
C 4.480928 -1.687962 1.324513
C 4.931591 -1.125097 -1.056349
C -0.966757 1.075079 0.216500
C -2.147058 -1.175764 0.509672
C 5.557445 -0.857125 2.049130
C 4.722820 -0.003012 -2.091240
C -0.709882 2.173850 1.067129
C -1.285794 1.328118 -1.142355
C -3.392124 -0.653436 0.943902
C -2.110004 -2.453604 -0.097346
C -1.097215 3.759163 -0.777476
C -0.777940 3.499739 0.577552
C -1.346914 2.647640 -1.629496
C -4.580169 -1.397683 0.778644
C -3.301796 -3.195685 -0.269922
C -4.539656 -2.674114 0.168974
C -1.176556 5.178865 -1.312474
H 2.450003 -1.385671 -1.355768
H 2.397978 -2.522970 0.012638
H -0.667240 -0.313212 1.832749
H 1.711370 -0.556116 1.527767
H 1.675688 0.484353 0.060596
H 3.618293 -1.814776 2.005613
H 4.872030 -2.717261 1.118537
H 5.954983 -1.039006 -0.647789
H 4.876081 -2.122518 -1.562766
H 6.458644 -0.714629 1.425692
H 5.159269 0.140945 2.302235
H 5.872918 -1.362533 2.981225
H 3.713329 -0.040505 -2.539562
H 4.842873 0.983017 -1.609736
H 5.458401 -0.091507 -2.912769
H -0.453619 1.995424 2.119774
H -1.484993 0.481516 -1.809247
H -3.432365 0.343153 1.400332
H -1.146859 -2.849062 -0.429621
H -0.576911 4.339716 1.253533
H -1.595021 2.826251 -2.683489
H -5.535256 -0.981952 1.119665
H -3.261946 -4.182767 -0.745224
H -5.461567 -3.251909 0.036778
H -0.494087 5.324095 -2.170818
H -2.197463 5.417349 -1.666579
H -0.908200 5.918609 -0.538781


