%chk=000115638.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115638

0 1
 O   -6.231900      0.5714000     -0.9292000    
 O   -1.627200      0.5004000       1.411000    
 N  -0.4196000      -1.099900      0.2364000    
 N   -3.974700     -0.5245000      0.4144000    
 C    1.223100      0.4393000     -0.7994000    
 C   0.8862000     -0.5084000      0.3869000    
 C    2.075900     -0.3884000      -1.798100    
 C    1.969900      -1.541400      0.2947000    
 C    2.639600      -1.470500     -0.9309000    
 C    1.887600       1.719800     -0.3075000    
 C    2.318000      -2.492500       1.241400    
 C    3.662500      -2.352600      -1.239100    
 C   -1.580800     -0.5438000      0.7645000    
 C   -2.802000      -1.394000      0.4800000    
 C    1.106100       2.820900      4.2100001E-02
 C    3.276900       1.790500     -0.2071000    
 C    3.355000      -3.379000      0.9437000    
 C    4.022300      -3.310000     -0.2886000    
 C   -3.823900      0.4756000     -0.6515000    
 C   -5.196400      -1.311800      0.1969000    
 C   -5.064100       1.362900     -0.7080000    
 C   -6.404500     -0.3828000      0.1193000    
 C    1.713900       3.992800      0.4922000    
 C    3.884800       2.962500      0.2431000    
 C    3.103400       4.063700      0.5927000    
 H   0.3106000      0.7530000      -1.326800    
 H   0.9326000      1.2200000E-02   1.351000    
 H    2.843100      0.1873000      -2.323000    
 H    1.421600     -0.8553000      -2.544500    
 H  -0.4923000      -1.958100     -0.3031000    
 H    1.799400      -2.552500       2.192400    
 H    4.175600      -2.304700      -2.193600    
 H   -2.895500      -2.108400       1.306300    
 H   -2.669400      -1.959300     -0.4506000    
 H   2.2500001E-02   2.777200     -2.9400000E-02
 H    3.922500      0.9539000     -0.4512000    
 H    3.646300      -4.132200       1.670800    
 H    4.824000      -4.010700     -0.5053000    
 H   -3.695700     -2.5000000E-02  -1.620700    
 H   -2.963700       1.134900     -0.5041000    
 H   -5.343900      -2.019600       1.020500    
 H   -5.118100      -1.886300     -0.7354000    
 H   -4.980000       2.068500      -1.540700    
 H   -5.186000       1.948000      0.2117000    
 H   -6.572900      0.1421000       1.067700    
 H   -7.306500     -0.9619000     -0.1031000    
 H    1.105300       4.849900      0.7654000    
 H    4.966500       3.016800      0.3254000    
 H    3.576700       4.975700      0.9444000    


%chk=000115638-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115638

0 1
O -6.543350 0.317030 -1.032964
O -1.561312 0.826521 0.945653
N -0.418005 -1.077796 0.277345
N -4.066736 -0.476040 0.239137
C 1.243657 0.558353 -0.768734
C 0.917449 -0.448458 0.413355
C 2.000914 -0.313944 -1.818016
C 2.007585 -1.504109 0.285111
C 2.620712 -1.433851 -0.992093
C 2.026989 1.760080 -0.231472
C 2.406996 -2.471897 1.229036
C 3.646830 -2.337476 -1.336740
C -1.578176 -0.389488 0.588475
C -2.856835 -1.254348 0.508931
C 1.301510 2.794013 0.420862
C 3.438182 1.868268 -0.309381
C 3.440265 -3.377419 0.884541
C 4.054518 -3.309790 -0.390164
C -4.060691 0.207764 -1.076258
C -5.310631 -1.256413 0.438885
C -5.305763 1.100094 -1.201691
C -6.532525 -0.334469 0.286686
C 1.967819 3.916086 0.958542
C 4.107697 2.991087 0.231493
C 3.375862 4.021646 0.862871
H 0.289122 0.933544 -1.175731
H 0.925882 0.090151 1.377566
H 2.743535 0.263479 -2.396031
H 1.287474 -0.735043 -2.554269
H -0.468770 -2.040885 -0.063488
H 1.937796 -2.516807 2.218708
H 4.129495 -2.288909 -2.319819
H -2.977672 -1.749054 1.493779
H -2.688255 -2.075597 -0.241895
H 0.212584 2.699143 0.513852
H 4.026999 1.075301 -0.783725
H 3.772915 -4.129192 1.608917
H 4.856484 -4.013037 -0.642225
H -4.049242 -0.529312 -1.920335
H -3.156739 0.838890 -1.145228
H -5.305199 -1.692119 1.456843
H -5.398477 -2.097253 -0.296672
H -5.375324 1.548613 -2.206276
H -5.260861 1.900466 -0.433346
H -6.513900 0.437154 1.085914
H -7.472852 -0.907738 0.343146
H 1.390588 4.706285 1.452295
H 5.199570 3.058794 0.160929
H 3.894686 4.893382 1.277683


