%chk=000016352.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016352

0 1
 O    2.076500      0.8082000      -1.213700    
 N   -1.650700     -0.6877000     -0.3857000    
 N   -4.481800     -0.8986000     -0.1801000    
 N   0.5123000      -1.427300     -0.2342000    
 C   -2.258900      -1.968200     -3.5700001E-02
 C   -2.502900      0.2208000      -1.147800    
 C   -3.607100      -1.739700      0.6498000    
 C   -3.845600      0.4016000     -0.4378000    
 C  -0.3380000     -0.4361000     -0.1785000    
 C   -5.781400     -0.7155000      0.4650000    
 C   3.9900001E-02  0.9817000      9.5600002E-02
 C    1.202400       1.537100     -0.4452000    
 C    1.892500      -1.290800     -2.5699999E-02
 C  -0.8075000       1.787300      0.8670000    
 C    2.656200     -0.2323000     -0.5285000    
 C    1.500400       2.888900     -0.2527000    
 C  -0.4978000       3.132800       1.077700    
 C   0.6512000       3.684300      0.5137000    
 C    2.559500      -2.321000      0.6509000    
 C    4.046200     -0.2038000     -0.3798000    
 C    3.945600      -2.289400      0.8222000    
 C    4.689100      -1.232200      0.3036000    
 H   -1.620400      -2.541900      0.6468000    
 H   -2.387200      -2.569300     -0.9443000    
 H   -2.674800     -0.2248000      -2.137100    
 H   -2.055900       1.198600      -1.350400    
 H   -4.077500      -2.715600      0.8202000    
 H   -3.445500      -1.276300       1.632500    
 H   -3.715600      0.9580000      0.4978000    
 H   -4.493400       1.005800      -1.084900    
 H   -6.446700     -0.1225000     -0.1723000    
 H   -5.696200     -0.2140000       1.435900    
 H   -6.273600      -1.682300      0.6184000    
 H   -1.691800       1.381600       1.347600    
 H    2.396100       3.323400     -0.6884000    
 H   -1.153700       3.750400       1.684500    
 H    1.999200      -3.166500       1.044300    
 H   0.8861000       4.732400      0.6743000    
 H    4.627600      0.6194000     -0.7858000    
 H    4.444600      -3.096300       1.351100    
 H    5.767400      -1.211800      0.4294000    


%chk=000016352-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016352

0 1
O 2.074939 0.775591 -1.271685
N -1.722593 -0.499006 -0.133616
N -4.553798 -1.027245 -0.224597
N 0.458819 -1.297968 0.079601
C -2.223298 -1.887799 -0.032006
C -2.633110 0.372982 -0.914000
C -3.640387 -1.885087 0.567846
C -4.041823 0.359622 -0.296708
C -0.347883 -0.253678 -0.025612
C -5.948767 -1.094196 0.249375
C 0.071324 1.180117 0.114247
C 1.268564 1.649686 -0.486064
C 1.859178 -1.241650 0.170801
C -0.676375 2.095455 0.904796
C 2.678276 -0.281037 -0.501492
C 1.680263 2.991721 -0.363946
C -0.267310 3.437397 1.048575
C 0.903525 3.892730 0.396315
C 2.534454 -2.291899 0.857428
C 4.080592 -0.365795 -0.508002
C 3.940819 -2.375189 0.875951
C 4.722601 -1.418047 0.184470
H -1.521531 -2.461359 0.592529
H -2.243033 -2.359801 -1.036498
H -2.699474 -0.011488 -1.954605
H -2.238902 1.399198 -0.951317
H -4.033795 -2.918785 0.562786
H -3.581950 -1.545916 1.634976
H -4.003479 0.841745 0.716344
H -4.722151 0.957774 -0.931368
H -6.595997 -0.490124 -0.411611
H -6.081040 -0.722476 1.297572
H -6.303414 -2.139755 0.211254
H -1.576367 1.734171 1.414735
H 2.601430 3.305409 -0.864067
H -0.856689 4.124809 1.664438
H 1.915720 -3.043881 1.357699
H 1.217942 4.937723 0.491017
H 4.649711 0.389608 -1.059317
H 4.428604 -3.194759 1.415091
H 5.815204 -1.490399 0.178366


