%chk=000178944.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178944

0 1
 O    6.341800      1.8700000E-02  0.3308000    
 O   -4.212800     -0.7549000     -0.3093000    
 O   -3.047100       2.580200     -0.6771000    
 O   -4.107200     -0.4579000       1.988200    
 N   -3.204900      0.2541000     -0.4310000    
 C    1.569900       1.451800      0.5267000    
 C   0.4088000      0.6040000      5.0799999E-02
 C   0.8720000     -0.6338000     -0.4488000    
 C    2.750400      0.5480000      0.2381000    
 C    2.314200     -0.6683000     -0.3335000    
 C  -0.9387000      0.9187000      6.6600002E-02
 C  -1.9900000E-02  -1.572300     -0.9403000    
 C    4.091700      0.7985000      0.4689000    
 C    3.227300      -1.650000     -0.6805000    
 C   -1.837600     -2.7400000E-02 -0.4290000    
 C   -1.382900      -1.260500     -0.9274000    
 C    5.011900     -0.1913000      0.1190000    
 C    4.584100      -1.403200     -0.4498000    
 C   -3.723400       1.558300     -0.5531000    
 C   -5.231400       1.691100     -0.5374000    
 C    6.716100       1.266500      0.9106000    
 C   -4.563700      -1.003200      0.9924000    
 C   -5.618600      -2.067000       1.025200    
 H    1.638300       2.376100     -5.4200001E-02
 H    1.488900       1.653000       1.598800    
 H   -1.239400       1.858100      0.5139000    
 H   0.3162000      -2.527700      -1.329200    
 H    4.353400       1.752400      0.9099000    
 H    2.912300      -2.590300      -1.120400    
 H   -2.086900      -1.992700      -1.316900    
 H    5.315300      -2.162800     -0.7162000    
 H   -5.507900       2.706200     -0.8395000    
 H   -5.613500       1.517200      0.4712000    
 H   -5.691700      0.9955000      -1.244000    
 H    6.456200       2.107700      0.2590000    
 H    7.806800       1.263700       1.007800    
 H    6.306200       1.381100       1.919800    
 H   -5.896000      -2.270500       2.063500    
 H   -6.506700      -1.724500      0.4882000    
 H   -5.230800      -2.987600      0.5819000    


%chk=000178944-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178944

0 1
O 6.410550 -0.165823 0.347787
O -4.218782 -0.680178 -0.363266
O -3.256748 2.785160 -0.708982
O -4.201380 -0.400895 1.988299
N -3.332306 0.482232 -0.448407
C 1.580361 1.563352 0.471854
C 0.372931 0.740736 0.035259
C 0.799811 -0.549149 -0.407358
C 2.745971 0.607534 0.238783
C 2.263951 -0.629949 -0.280792
C -0.979257 1.105732 0.037451
C -0.155640 -1.483061 -0.864169
C 4.117354 0.818767 0.469351
C 3.173675 -1.673692 -0.575799
C -1.932687 0.158423 -0.429647
C -1.519345 -1.123947 -0.882585
C 5.018765 -0.237049 0.168592
C 4.547984 -1.473909 -0.350447
C -3.953183 1.739097 -0.568562
C -5.473195 1.745027 -0.522880
C 6.962543 1.079926 0.882584
C -4.539251 -1.065158 1.001889
C -5.307192 -2.362992 0.950015
H 1.678986 2.490945 -0.125419
H 1.505576 1.876426 1.531672
H -1.307654 2.092331 0.367387
H 0.147363 -2.475737 -1.214567
H 4.471903 1.773741 0.869327
H 2.823409 -2.631649 -0.975777
H -2.269309 -1.828094 -1.253402
H 5.282945 -2.255340 -0.565772
H -5.807566 2.765489 -0.760264
H -5.835239 1.479472 0.487042
H -5.909291 1.030883 -1.241387
H 6.752354 1.935538 0.211239
H 8.048110 0.912695 0.939965
H 6.564788 1.296125 1.893553
H -6.036088 -2.394256 1.774597
H -5.813692 -2.491085 -0.018595
H -4.600828 -3.202668 1.085132


