%chk=000017698.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017698

0 1
 O   -3.019900      -1.398700      0.3814000    
 O   -1.999300     -0.6779000      -1.556800    
 N   0.2396000     -5.7999998E-02 -9.7000003E-03
 C  -0.1589000       1.276100      0.4413000    
 C    1.591100     -0.3701000      0.4440000    
 C   0.4802000       2.345400     -0.4467000    
 C    2.217600      -1.433900     -0.4592000    
 C   0.1027000       3.782300     -3.9099999E-02
 C    3.652700      -1.815000     -4.8300002E-02
 C  -0.7095000      -1.062300      0.4724000    
 C   0.5584000       4.051000       1.397500    
 C   0.7032000       4.832300     -0.9751000    
 C    3.653900      -2.370100       1.378300    
 C    4.281600      -2.834800     -0.9987000    
 C   -1.952600      -1.011200     -0.3804000    
 C   -4.285600      -1.403000     -0.2868000    
 C   -5.355200      -1.852000      0.6859000    
 H   -1.246000       1.408300      0.3693000    
 H   0.1015000       1.406900       1.497600    
 H    2.252100      0.5023000      0.4108000    
 H    1.566200     -0.6879000       1.492800    
 H   0.1595000       2.183000      -1.484600    
 H    1.573000       2.266800     -0.4503000    
 H    1.609300      -2.345600     -0.4787000    
 H    2.239400      -1.057400      -1.490800    
 H  -0.9891000       3.884800     -7.9200000E-02
 H    4.276600     -0.9124000     -6.7299999E-02
 H  -0.3311000      -2.085300      0.3769000    
 H  -0.9588000     -0.8959000       1.527900    
 H    1.620400       3.819100       1.531800    
 H   0.4118000       5.105500       1.657200    
 H  -1.8600000E-02   3.470000       2.122600    
 H    1.797800       4.797000     -0.9602000    
 H   0.3731000       4.663500      -2.005500    
 H   0.3908000       5.840700     -0.6843000    
 H    2.931600      -3.185600       1.492500    
 H    4.643600      -2.762500       1.638000    
 H    3.423900      -1.596200       2.116200    
 H    3.715100      -3.772100      -1.005400    
 H    4.303500      -2.445300      -2.021900    
 H    5.311800      -3.061300     -0.7043000    
 H   -4.246600      -2.091700      -1.138100    
 H   -4.512100     -0.3929000     -0.6458000    
 H   -5.132700      -2.853800       1.067800    
 H   -5.393800      -1.183000       1.551900    
 H   -6.338200      -1.866800      0.2069000    


%chk=000017698-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017698

0 1
O -3.072500 -1.634588 0.290503
O -2.509427 0.296259 -0.888086
N 0.182764 0.128552 0.233478
C -0.045936 1.549624 0.622360
C 1.535032 -0.367490 0.608089
C 0.631659 2.540864 -0.347331
C 2.004723 -1.561964 -0.251160
C 0.322408 4.032399 -0.046671
C 3.493694 -1.948929 -0.040952
C -0.884787 -0.772500 0.686995
C 0.908630 4.497575 1.309536
C 0.847111 4.926943 -1.195202
C 3.782637 -2.432447 1.401944
C 3.912963 -3.029736 -1.065879
C -2.199639 -0.601531 -0.076638
C -4.427876 -1.604692 -0.341159
C -5.192531 -2.808412 0.199712
H -1.133459 1.738263 0.586985
H 0.291620 1.731455 1.673404
H 2.244564 0.466355 0.454137
H 1.583122 -0.628298 1.696021
H 0.280044 2.287536 -1.365452
H 1.733193 2.401502 -0.343086
H 1.381546 -2.458960 -0.051002
H 1.839249 -1.290983 -1.311969
H -0.782311 4.146175 -0.002733
H 4.108819 -1.042223 -0.229737
H -0.571335 -1.821925 0.548902
H -1.126261 -0.670556 1.778058
H 2.008217 4.363417 1.323368
H 0.698808 5.569922 1.482518
H 0.487343 3.931891 2.160262
H 1.947645 4.841227 -1.285967
H 0.404262 4.633662 -2.165114
H 0.605872 5.991704 -1.016533
H 3.150409 -3.307084 1.651826
H 4.839775 -2.739785 1.509450
H 3.584281 -1.645460 2.151823
H 3.323769 -3.956184 -0.920205
H 3.748855 -2.685004 -2.103829
H 4.982300 -3.290777 -0.957165
H -4.300501 -1.640322 -1.438288
H -4.910497 -0.644226 -0.083474
H -4.679218 -3.750153 -0.059431
H -5.287095 -2.754781 1.297811
H -6.207941 -2.834013 -0.236316


