%chk=000044092.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044092

0 1
 O    6.745800      -2.777200     -0.9488000    
 O   -3.381000      -3.169600      0.7728000    
 O   -1.349500      -2.338000      0.7608000    
 O   -6.901600       1.750000     -0.5853000    
 O   -7.177000     -0.3831000     -0.1457000    
 N    5.243000      0.4025000      0.1136000    
 N  -0.3061000      0.8850000     -0.4525000    
 N  -0.8864000      5.2700002E-02  0.2835000    
 N   -2.589400      -2.208400      0.6305000    
 N   -6.438100      0.6191000     -0.3010000    
 C    5.990600     -0.5075000     -0.7314000    
 C    5.948500       1.175600       1.116200    
 C    3.845200      0.5240000     -2.8899999E-02
 C    6.040800      -1.885700     -9.4099998E-02
 C    3.175200     -0.2243000     -0.9969000    
 C    3.132800       1.392800      0.7978000    
 C    6.217500       2.589700      0.6303000    
 C    1.792500     -0.1041000      -1.137900    
 C    1.750200       1.513100      0.6565000    
 C    1.079900      0.7644000     -0.3111000    
 C   -2.279300      0.1744000      0.1413000    
 C   -3.116100     -0.9263000      0.3095000    
 C   -2.814200       1.421900     -0.1727000    
 C   -5.034200      0.4688000     -0.1507000    
 C   -4.495500     -0.7790000      0.1635000    
 C   -4.193600       1.569300     -0.3192000    
 H    7.023300     -0.1441000     -0.8318000    
 H    5.649300     -0.5392000      -1.772100    
 H    5.440700       1.170700       2.087300    
 H    6.919900      0.7065000       1.322000    
 H    6.545000      -1.863600      0.8779000    
 H    5.038900      -2.297200      6.1099999E-02
 H    3.665100     -0.9288000      -1.659200    
 H    3.591900       2.000800       1.569100    
 H    6.806400       2.577800     -0.2933000    
 H    5.299500       3.147600      0.4261000    
 H    6.785900       3.144400       1.383700    
 H    1.278000     -0.6936000      -1.892500    
 H    1.202900       2.192900       1.304600    
 H    7.645700      -2.426000      -1.060500    
 H   -5.154200      -1.634500      0.2936000    
 H   -2.201200       2.312100     -0.2891000    
 H   -4.578800       2.557000     -0.5594000    


%chk=000044092-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044092

0 1
O 7.508374 -1.416729 -2.411439
O -3.773194 -0.337918 3.343446
O -1.932443 -1.323503 2.413820
O -6.995663 1.172001 -1.898310
O -7.464138 0.550106 0.250494
N 5.324462 0.294040 0.188467
N -0.251597 -0.142075 -0.700629
N -1.070107 0.087777 0.306368
N -3.010470 -0.618291 2.334880
N -6.640040 0.768666 -0.721011
C 6.277008 0.157478 -0.931045
C 5.909075 0.575540 1.522575
C 3.950985 0.193538 -0.008377
C 6.663153 -1.318194 -1.217853
C 3.401325 -0.142755 -1.294949
C 3.026618 0.413341 1.077306
C 5.968931 2.082662 1.858349
C 2.020217 -0.246332 -1.475364
C 1.650454 0.309427 0.888499
C 1.114937 -0.015526 -0.398303
C -2.437322 0.132425 -0.013651
C -3.413466 -0.103295 1.009401
C -2.914233 0.565080 -1.290671
C -5.201469 0.545883 -0.477183
C -4.783591 0.121198 0.797906
C -4.277404 0.760716 -1.531484
H 7.187729 0.735519 -0.682825
H 5.865338 0.602670 -1.853579
H 5.343587 0.026200 2.295999
H 6.930696 0.153719 1.531645
H 7.148865 -1.770905 -0.327846
H 5.764519 -1.908525 -1.457651
H 4.056696 -0.337894 -2.147331
H 3.398688 0.670050 2.072524
H 6.573728 2.630074 1.113189
H 4.960686 2.531137 1.871556
H 6.428756 2.234957 2.851702
H 1.602443 -0.511327 -2.452196
H 0.954623 0.464849 1.718800
H 8.418902 -1.084449 -2.209737
H -5.506869 -0.043850 1.600148
H -2.168432 0.745815 -2.070333
H -4.652059 1.079602 -2.507705


