%chk=000114124.chk
%nprocshared=8
%mem=28GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114124

0 1
 O   0.8807000     -0.3378000      0.7250000    
 O   -4.316900      -2.308100      -1.270000    
 O   0.7745000      -1.586400      -1.241000    
 N    2.553200       1.445500     -0.5398000    
 C   -3.065600      0.7565000      0.3693000    
 C   -3.974700     -0.1899000     -0.1605000    
 C   -1.211200     -0.6757000     -0.2855000    
 C   -1.686900      0.4985000      0.2986000    
 C   -3.478200      -1.366300     -0.7454000    
 C   -2.105200      -1.606300     -0.8067000    
 C    3.072000      0.3714000      8.4600002E-02
 C    4.460800      0.1257000      0.1134000    
 C    2.263500     -0.5398000      0.7268000    
 C   -3.561900       1.933100      0.9538000    
 C   -5.353500      6.8000004E-02 -8.9800000E-02
 C   0.2200000     -0.9274000     -0.3505000    
 C   -4.934800       2.172900       1.015600    
 C   -5.828900       1.242100      0.4950000    
 C    4.967700      -1.005900      0.7746000    
 C    2.736900      -1.660200       1.384600    
 C    5.305700       1.038300     -0.5325000    
 C    4.105800      -1.896200       1.408600    
 C    4.774000       2.146100      -1.176900    
 C    3.403000       2.302100      -1.151400    
 H  -0.9934000       1.238100      0.6954000    
 H   -1.743400      -2.525700      -1.261500    
 H   -2.881700       2.675000       1.367100    
 H   -6.096400     -0.6137000     -0.4936000    
 H   -5.305700       3.087200       1.469700    
 H   -6.897400       1.431800      0.5404000    
 H    6.037700      -1.199900      0.7996000    
 H    2.058800      -2.350000       1.877900    
 H    6.383200      0.8907000     -0.5370000    
 H    4.501100      -2.769300       1.918700    
 H    5.412600       2.861600      -1.681300    
 H    2.930400       3.148900      -1.638200    
 H   -5.175100      -2.285600     -0.8194000    


%chk=000114124-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114124

0 1
O 0.904101 -0.636023 0.932957
O -4.161690 -1.503005 -2.296475
O 0.785344 -1.827739 -1.086838
N 2.352234 0.878625 -0.935609
C -3.092017 0.563619 0.694423
C -3.969708 0.006771 -0.318192
C -1.203648 -0.706512 -0.218651
C -1.712723 0.193193 0.727505
C -3.399399 -0.913457 -1.276073
C -2.051247 -1.261267 -1.227441
C 3.052221 0.142596 0.006538
C 4.498300 0.147445 0.097225
C 2.318749 -0.656976 0.950477
C -3.637729 1.484448 1.650595
C -5.349646 0.392442 -0.322995
C 0.227122 -1.114264 -0.232473
C -4.985856 1.843515 1.620291
C -5.850111 1.290813 0.623699
C 5.150034 -0.608957 1.123863
C 2.969190 -1.380359 1.947766
C 5.209252 0.936563 -0.866100
C 4.395399 -1.350903 2.035022
C 4.498389 1.661645 -1.823532
C 3.066380 1.607510 -1.812423
H -1.049219 0.615919 1.486170
H -1.636237 -1.954515 -1.963858
H -2.968893 1.903781 2.411210
H -6.046836 -0.010760 -1.070406
H -5.387929 2.547609 2.356302
H -6.907999 1.573716 0.604341
H 6.244576 -0.596845 1.184652
H 2.374182 -1.970848 2.650762
H 6.304860 0.960959 -0.837154
H 4.891810 -1.926845 2.822917
H 5.011026 2.270794 -2.574321
H 2.488899 2.181092 -2.547084
H -5.100479 -1.194481 -2.279389


