%chk=000017736.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017736

1 1
 N    6.304300      0.2788000      0.1544000    
 C   -2.562500      0.6441000      0.1509000    
 C   -1.240100     -5.9300002E-02 -0.1636000    
 C   -3.795700     -0.2030000     -0.1761000    
 C  -4.3000001E-02  0.8227000      0.2028000    
 C   -5.118800      0.5099000      0.1153000    
 C    1.279000      0.1324000     -0.1407000    
 C   -6.312200     -0.4081000     -0.1615000    
 C    2.512000      0.9425000      0.2723000    
 C   -7.664900      0.2442000      0.1390000    
 C    3.832800      0.2187000     -4.3000001E-03
 C   -8.898500     -0.6208000     -0.1401000    
 C    5.056800       1.034900      0.4053000    
 C   -10.25000      5.7399999E-02  9.6000001E-02
 C   -11.43900     -0.8580000     -0.1512000    
 C    6.907100      0.4036000      -1.035900    
 C    6.790500     -0.5057000       1.125900    
 C    8.078200     -0.2929000      -1.298800    
 C    7.958200      -1.226200      0.9187000    
 C    8.605600      -1.115400     -0.3081000    
 H   -2.586100      0.9122000       1.214400    
 H   -2.614400       1.583600     -0.4134000    
 H   -1.186200      -1.003700      0.3912000    
 H   -1.203700     -0.3077000      -1.231100    
 H   -3.749300      -1.133500      0.4034000    
 H   -3.765700     -0.4881000      -1.235100    
 H  -0.1056000       1.777300     -0.3334000    
 H  -7.0500001E-02   1.050700       1.275100    
 H   -5.194800       1.413300     -0.5013000    
 H   -5.139800      0.8299000       1.163900    
 H    1.319900     -6.1000001E-02  -1.219700    
 H    1.313700     -0.8445000      0.3576000    
 H   -6.218200      -1.320100      0.4408000    
 H   -6.292500     -0.7200000      -1.213100    
 H    2.449200       1.172800       1.343100    
 H    2.506100       1.901900     -0.2594000    
 H   -7.746600       1.165500     -0.4518000    
 H   -7.684200      0.5509000       1.192400    
 H    3.898100     -2.4000000E-02  -1.072000    
 H    3.838900     -0.7395000      0.5296000    
 H   -8.839100      -1.521200      0.4843000    
 H   -8.856700     -0.9643000      -1.181400    
 H    5.026600       1.291300       1.470800    
 H    5.112900       1.976800     -0.1529000    
 H   -10.29420      0.4237000       1.128500    
 H   -10.33310      0.9347000     -0.5561000    
 H   -11.44660      -1.216600      -1.185300    
 H   -11.40750      -1.727000      0.5135000    
 H   -12.37570     -0.3225000      3.1399999E-02
 H    6.444000       1.055600      -1.766600    
 H    6.238000     -0.5526000       2.056500    
 H    8.572500     -0.1989000      -2.259700    
 H    8.358400      -1.865000       1.698600    
 H    9.520600      -1.670500     -0.4923000    


%chk=000017736-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017736

1 1
N 6.402266 0.366593 0.110770
C -2.596647 0.570441 0.230317
C -1.256453 -0.154546 -0.028485
C -3.832360 -0.303512 -0.081406
C -0.023182 0.721928 0.286438
C -5.172172 0.424440 0.170053
C 1.316310 -0.001656 0.018096
C -6.409836 -0.445947 -0.143723
C 2.545522 0.880018 0.340381
C -7.748815 0.285733 0.101966
C 3.880091 0.149496 0.057082
C -8.988321 -0.580866 -0.215224
C 5.087463 1.051858 0.394820
C -10.326330 0.155214 0.025541
C -11.560147 -0.716033 -0.293899
C 6.959747 0.460847 -1.143299
C 6.994840 -0.399609 1.087460
C 8.149090 -0.215784 -1.448904
C 8.185170 -1.093493 0.827030
C 8.775454 -1.004432 -0.455456
H -2.638786 0.898369 1.290005
H -2.638546 1.494553 -0.383292
H -1.217779 -1.079714 0.583587
H -1.216685 -0.479975 -1.088982
H -3.796102 -1.225767 0.535499
H -3.790355 -0.635617 -1.139916
H -0.069183 1.649306 -0.321459
H -0.063840 1.041552 1.348456
H -5.208876 1.347411 -0.445891
H -5.216950 0.755833 1.228703
H 1.354537 -0.316385 -1.045174
H 1.357461 -0.930517 0.623452
H -6.377806 -1.367445 0.474690
H -6.365014 -0.780314 -1.201479
H 2.504593 1.186863 1.405597
H 2.493918 1.811173 -0.260323
H -7.780327 1.208308 -0.514986
H -7.796206 0.618487 1.160145
H 3.920335 -0.147130 -1.009681
H 3.927435 -0.781066 0.656369
H -8.962387 -1.502143 0.403950
H -8.942189 -0.916460 -1.272585
H 5.081400 1.331938 1.462437
H 5.061083 1.980797 -0.200887
H -10.372350 0.490613 1.081888
H -10.351599 1.075330 -0.593532
H -11.553534 -1.040974 -1.351558
H -11.577488 -1.625931 0.335436
H -12.502070 -0.165511 -0.116271
H 6.432265 1.085912 -1.866968
H 6.494372 -0.427755 2.057732
H 8.573776 -0.118989 -2.450677
H 8.638268 -1.689562 1.622409
H 9.705139 -1.536581 -0.675452


