%chk=000023456.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023456

0 1
 O   -2.233200       2.793000     -0.2981000    
 O  -0.6915000      0.1304000      -1.567900    
 N   -3.822600      -1.200300      0.1349000    
 N   0.6334000     -0.2887000      -1.564400    
 C   -2.990800      0.9203000       1.022900    
 C   -2.302100       1.365200     -0.2791000    
 C   -3.081600     -0.5926000       1.213500    
 C  -0.8995000      0.8280000     -0.4440000    
 C   0.1974000      0.9097000      0.3226000    
 C    1.143900      0.1886000     -0.4257000    
 C   -5.191400     -0.6703000      6.6600002E-02
 C   -3.864600      -2.662200      0.2773000    
 C    2.518800     -5.2999999E-02 -7.8599997E-02
 C    3.215400      0.8771000      0.6910000    
 C    3.151200      -1.216300     -0.5134000    
 C    4.548800      0.6429000       1.026900    
 C    4.484700      -1.450600     -0.1774000    
 C    5.183400     -0.5210000      0.5928000    
 H   -3.967000       1.411500       1.114900    
 H   -2.420300       1.326600       1.870900    
 H   -2.915400       1.069100      -1.137900    
 H   -2.070000      -1.012900       1.264900    
 H   -3.549300     -0.7989000       2.185500    
 H   0.3066000       1.404800       1.276400    
 H   -5.214300      0.3701000     -0.2706000    
 H   -5.715500     -0.7492000       1.026100    
 H   -5.775100      -1.223200     -0.6795000    
 H   -4.374900      -3.118200     -0.5783000    
 H   -4.378100      -2.971700       1.194800    
 H   -2.849300      -3.074200      0.2924000    
 H   -1.890200       3.060000      -1.168300    
 H    2.751400       1.797700       1.035700    
 H    2.630700      -1.963300      -1.107700    
 H    5.094000       1.367500       1.624700    
 H    4.978600      -2.357500     -0.5137000    
 H    6.221700     -0.7032000      0.8543000    


%chk=000023456-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000023456

0 1
O -2.116609 2.631441 -0.223428
O -0.735199 -0.747956 -0.761534
N -4.332723 -1.017948 0.090041
N 0.675389 -1.148790 -0.711293
C -2.982910 0.830541 1.131050
C -2.227924 1.161123 -0.174015
C -3.406790 -0.652925 1.191435
C -0.850181 0.546671 -0.229923
C 0.402018 0.994840 0.146264
C 1.319297 -0.078025 -0.165429
C -5.718628 -0.567601 0.325769
C -4.263479 -2.449856 -0.269123
C 2.782009 -0.121231 0.040004
C 3.464926 0.983272 0.615240
C 3.528188 -1.272896 -0.335147
C 4.861815 0.938847 0.811624
C 4.922391 -1.314307 -0.137521
C 5.596443 -0.209311 0.436613
H -3.864904 1.495677 1.168091
H -2.347436 1.077871 2.001898
H -2.832671 0.766034 -1.016635
H -2.509751 -1.292739 1.103613
H -3.853935 -0.861386 2.195815
H 0.626113 1.959390 0.591769
H -5.744725 0.521310 0.504618
H -6.199660 -1.072187 1.202813
H -6.333598 -0.775508 -0.568102
H -4.903274 -2.640435 -1.149894
H -4.599464 -3.133092 0.551595
H -3.225343 -2.712208 -0.537672
H -1.718355 2.893515 -1.092980
H 2.908946 1.879351 0.911903
H 3.001210 -2.123652 -0.778800
H 5.375530 1.797971 1.256787
H 5.485833 -2.207035 -0.430442
H 6.680751 -0.243569 0.589497


