%chk=000017594.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017594

0 1
 O   -1.302200      -1.717500     -0.3621000    
 O    4.039200       2.002600     -0.7618000    
 N    3.946000     -7.3200002E-02  0.3521000    
 N   -5.325700       2.038500      0.4317000    
 C   8.0000004E-03  -1.306200     -0.1827000    
 C    2.625800     -0.4868000      0.1718000    
 C   -2.286200     -0.7977000     -0.1681000    
 C   0.4156000     -0.1004000     -0.7240000    
 C   0.8754000      -2.112900      0.5313000    
 C    1.736000      0.3127000     -0.5453000    
 C    2.195600      -1.699600      0.7101000    
 C   -2.246000      4.3200001E-02  0.9442000    
 C   -3.336000     -0.6967000      -1.081100    
 C   -4.305200       1.085800      0.2308000    
 C   -3.255500      0.9849000       1.143700    
 C   -4.345500      0.2451000     -0.8816000    
 C    4.555200       1.101800     -0.1083000    
 C    6.005300       1.176500      0.2994000    
 H  -0.2521000      0.5274000      -1.306800    
 H   0.5417000      -3.057100      0.9509000    
 H    1.996900       1.260000     -0.9961000    
 H    2.878100      -2.332700       1.271600    
 H   -1.453300     -2.8800000E-02   1.684300    
 H   -3.372600      -1.348800      -1.949500    
 H    4.532000     -0.7116000      0.8862000    
 H   -3.215700       1.631100       2.016900    
 H   -5.158100      0.3142000      -1.600300    
 H   -5.297800       2.647600       1.238400    
 H   -6.087500       2.111200     -0.2294000    
 H    6.082200       1.187500       1.390200    
 H    6.455500       2.090400     -9.8200001E-02
 H    6.547300      0.3132000     -9.6900001E-02


%chk=000017594-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017594

0 1
O -1.304295 -1.573562 0.028809
O 4.266893 2.116438 -0.296279
N 4.187406 -0.179932 0.191757
N -5.784321 1.886568 0.132947
C 0.035562 -1.124487 0.082381
C 2.785420 -0.447140 0.142489
C -2.375570 -0.630478 0.045885
C 0.444965 0.201413 -0.189448
C 0.997931 -2.117008 0.381058
C 1.813675 0.542799 -0.159302
C 2.361597 -1.777989 0.408433
C -2.538421 0.296549 1.099621
C -3.348317 -0.730817 -0.969319
C -4.661872 1.054181 0.104691
C -3.668942 1.135673 1.125595
C -4.485185 0.101598 -0.940729
C 4.853321 1.027248 -0.017480
C 6.374382 0.946641 0.113432
H -0.296228 0.968239 -0.433750
H 0.661925 -3.138005 0.583595
H 2.140511 1.562649 -0.369031
H 3.102569 -2.554226 0.640474
H -1.789613 0.356884 1.896438
H -3.208979 -1.464353 -1.769421
H 4.775166 -0.987178 0.409881
H -3.789490 1.853938 1.945607
H -5.239447 0.016819 -1.732345
H -5.911885 2.564349 0.877956
H -6.492693 1.830840 -0.592244
H 6.705142 1.663574 0.884469
H 6.832725 1.259661 -0.840675
H 6.752468 -0.057189 0.375907


