%chk=000078690.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078690

0 1
 O    2.713600       1.455400      0.2286000    
 O    2.805600      -1.287000     -0.2156000    
 O   -2.576000       1.817000     -0.9418000    
 O   -2.727400       1.548100       1.310100    
 O   -1.908600      -2.725000     -0.4096000    
 O   -3.103300     -0.9088000     -0.1049000    
 N   -1.998300      -1.491000     -0.2090000    
 C  -0.8505000      0.6511000      0.1283000    
 C  -0.8047000     -0.7250000     -9.5399998E-02
 C    1.564000      0.7327000      0.1211000    
 C    1.609900     -0.6435000     -0.1025000    
 C   0.3338000       1.379900      0.2366000    
 C   0.4255000      -1.372400     -0.2108000    
 C   -2.117100       1.362200      0.2547000    
 C    3.250100       2.002700     -0.9743000    
 C    3.383300      -1.796400      0.9847000    
 H   0.3040000       2.453000      0.4119000    
 H   0.4965000      -2.443400     -0.3859000    
 H    2.541200       2.704000      -1.425900    
 H    3.495200       1.206400      -1.684300    
 H    4.167100       2.543700     -0.7255000    
 H    2.725800      -2.544100       1.439300    
 H    3.577200     -0.9853000       1.693600    
 H    4.333800      -2.274000      0.7315000    
 H   -3.428100       2.294100     -0.8487000    


%chk=000078690-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078690

0 1
O 2.626229 1.524939 0.378508
O 2.716778 -1.324771 -0.371655
O -3.078730 1.323481 -0.836793
O -2.502172 2.318918 1.186648
O -2.121751 -2.527204 -1.076031
O -3.153055 -1.158950 0.434634
N -2.149237 -1.492073 -0.304910
C -0.989477 0.704915 0.155621
C -0.924752 -0.662387 -0.220085
C 1.472253 0.761114 0.161539
C 1.511692 -0.623757 -0.194876
C 0.224858 1.394272 0.354702
C 0.306007 -1.320095 -0.402798
C -2.254329 1.502581 0.273565
C 3.582508 1.607208 -0.757645
C 3.563090 -1.442658 0.845212
H 0.214342 2.451938 0.633078
H 0.330658 -2.380023 -0.668041
H 3.116124 2.163974 -1.590544
H 3.887122 0.603272 -1.099693
H 4.443634 2.166742 -0.364994
H 3.037992 -2.047503 1.606736
H 3.809984 -0.448668 1.258782
H 4.473240 -1.962404 0.512682
H -3.930407 1.821539 -0.707444


