%chk=000096809.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096809

0 1
 O    3.813500       1.246800       2.311400    
 O    2.868000       2.643200      0.7958000    
 O    3.403800      -3.191800     -0.4935000    
 O   -2.077700       2.354500      -2.261600    
 O  -1.7000001E-02   2.418500      -1.507400    
 O   -4.701000      -2.051700       1.217000    
 O   -5.279300     -0.6946000     -0.4087000    
 N   0.7925000      0.9454000      0.3262000    
 N   -1.178700       1.948600      -1.488400    
 N    4.035300      -2.151300      -2.444700    
 N   -4.426700      -1.145100      0.3941000    
 C    1.833600      0.4799000       1.220200    
 C    2.421700     -0.8479000      0.7208000    
 C    3.026700     -0.8236000     -0.6878000    
 C  -0.4961000      0.4439000      0.3277000    
 C    2.868900       1.573500       1.391200    
 C   -1.487900      0.9189000     -0.5561000    
 C  -0.8540000     -0.5757000       1.233300    
 C    3.493000      -2.176900      -1.180500    
 C   -2.780900      0.3962000     -0.5346000    
 C   -3.110600     -0.6124000      0.3708000    
 C   -2.147000      -1.098300       1.254800    
 H    1.429900      0.3528000       2.233000    
 H    3.200100      -1.179000       1.421100    
 H    1.656500      -1.632200      0.7490000    
 H    1.070900       1.586700     -0.4045000    
 H    2.288100     -0.4540000      -1.408900    
 H    3.883600     -0.1403000     -0.7120000    
 H  -0.1572000     -0.9927000       1.953000    
 H   -3.535400      0.7722000      -1.221700    
 H   -2.369100      -1.882000       1.974700    
 H    4.476500       1.961000       2.423900    
 H    4.387900      -2.997500      -2.879500    
 H    4.101600      -1.296400      -2.987800    


%chk=000096809-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096809

0 1
O 3.816465 1.334019 2.303539
O 2.993714 2.531528 0.486110
O 2.856601 -3.222463 -0.822355
O -2.233322 2.399251 -2.254251
O -0.076552 2.522834 -1.538705
O -4.790656 -2.104797 1.262432
O -5.406396 -0.649683 -0.389565
N 0.767679 0.930783 0.366224
N -1.279121 2.003152 -1.485823
N 4.289741 -2.194257 -2.327582
N -4.535988 -1.153545 0.421891
C 1.860038 0.455035 1.221527
C 2.509944 -0.875910 0.720407
C 3.101167 -0.771073 -0.697928
C -0.503551 0.423364 0.363917
C 2.913261 1.563098 1.269916
C -1.537511 0.931637 -0.519126
C -0.890224 -0.643567 1.250175
C 3.399753 -2.169139 -1.268457
C -2.849188 0.414688 -0.497182
C -3.165956 -0.615351 0.395493
C -2.186054 -1.150591 1.274527
H 1.504576 0.296211 2.257740
H 3.288839 -1.173848 1.444343
H 1.751899 -1.678937 0.717172
H 0.945003 1.724551 -0.278796
H 2.370895 -0.280498 -1.372927
H 4.017072 -0.149528 -0.713684
H -0.147423 -1.071106 1.926866
H -3.604069 0.820722 -1.175367
H -2.468468 -1.958309 1.954885
H 4.510605 2.047650 2.315395
H 4.488220 -3.088936 -2.775771
H 4.722506 -1.348285 -2.694742


