%chk=000168859.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168859

0 1
 O   -1.950600      0.4127000      0.8052000    
 O   0.7137000      -2.695800      0.3768000    
 O    4.058100      0.4297000     -6.6000000E-02
 N   0.1162000     -0.4549000      0.1231000    
 N    2.371600      -1.126500      0.1556000    
 C   -1.295000     -0.7025000      0.1821000    
 C   -1.925200     -0.8827000      -1.188100    
 C   -3.318000     -0.3483000     -0.9628000    
 C   -3.045000      0.8208000     -3.2800000E-02
 C   -4.235400       1.202000      0.8253000    
 C   0.5334000      0.8500000     -4.0600002E-02
 C    1.028800      -1.513100      0.2299000    
 C    1.819100       1.216500     -0.1112000    
 C    2.861100      0.1605000     -8.0000004E-03
 C    2.267400       2.631500     -0.2885000    
 H   -1.493700      -1.582600      0.8055000    
 H   -1.907300      -1.922500      -1.527500    
 H   -1.417000     -0.2777000      -1.949300    
 H   -3.823000     -4.9699999E-02  -1.885500    
 H   -3.929000      -1.112300     -0.4668000    
 H   -2.711100       1.693000     -0.6078000    
 H   -3.973600       2.030100       1.492600    
 H   -5.087900       1.503400      0.2095000    
 H   -4.540700      0.3684000       1.467100    
 H  -0.2304000       1.613300     -0.1385000    
 H    3.061000      -1.869500      0.2292000    
 H    2.890500       2.943800      0.5558000    
 H    1.421700       3.324500     -0.3514000    
 H    2.851100       2.735100      -1.209000    


%chk=000168859-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168859

0 1
O -2.043154 0.424976 0.822663
O 0.633113 -2.663000 -0.046280
O 4.133868 0.428519 -0.419617
N 0.136703 -0.374156 0.141488
N 2.356227 -1.073665 -0.217467
C -1.312847 -0.739938 0.340634
C -2.000474 -1.204999 -0.973682
C -3.400454 -0.550685 -0.892607
C -3.115394 0.783794 -0.174444
C -4.272949 1.408161 0.598052
C 0.577505 0.948316 0.159510
C 1.020372 -1.458127 -0.040031
C 1.894870 1.307386 -0.022759
C 2.893460 0.250251 -0.236661
C 2.373930 2.737910 0.002403
H -1.330030 -1.522093 1.118321
H -2.022835 -2.302292 -1.043850
H -1.436999 -0.818395 -1.841991
H -3.855110 -0.402185 -1.886710
H -4.087751 -1.162812 -0.280268
H -2.681677 1.515919 -0.889989
H -3.941607 2.307088 1.145760
H -5.079555 1.704821 -0.096945
H -4.681379 0.688296 1.328356
H -0.209640 1.678129 0.360904
H 3.024508 -1.839197 -0.352167
H 3.140894 2.879548 0.785356
H 1.541906 3.437742 0.191199
H 2.855299 3.007888 -0.955277


