%chk=000000463.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000463

0 1
 O  -7.6499999E-02   2.749700      -1.728500    
 O    1.219200       3.937400     -0.2933000    
 O   -2.180900      0.7018000       1.844900    
 O   -5.947700      -2.330400      0.3528000    
 O   -4.783000      -1.928500      -1.555200    
 N  -0.9411000       1.103900     -7.9800002E-02
 N    3.831800      -1.189200     -0.5081000    
 N    5.538100      -2.639500      -1.104800    
 N    5.389500      -2.066500       1.096200    
 C    1.264000       1.151000       1.035300    
 C   6.5300003E-02   1.947700      0.5130000    
 C    2.007700      0.3539000     -4.3000001E-02
 C    3.159400     -0.4448000      0.5581000    
 C   0.4682000       2.994900     -0.5081000    
 C   -1.989400      0.5464000      0.6419000    
 C   -2.891800     -0.2976000     -0.2404000    
 C   -4.049500     -0.9186000      0.5343000    
 C   -4.935500      -1.761400     -0.3531000    
 C    4.852200      -1.910400     -0.1622000    
 H   0.9188000      0.4590000       1.814200    
 H    1.970200       1.840600       1.515100    
 H  -0.4012000       2.486100       1.346900    
 H    2.398300       1.030500     -0.8125000    
 H    1.319000     -0.3339000     -0.5484000    
 H  -0.8634000      0.8884000      -1.070100    
 H    3.861000      0.2448000       1.043000    
 H    2.765400      -1.136100       1.313000    
 H   -3.276600      0.3377000      -1.047600    
 H   -2.283200      -1.084600     -0.7026000    
 H   -4.664600     -0.1302000      0.9827000    
 H   -3.660800      -1.557300       1.335600    
 H   0.1990000       3.417300      -2.392400    
 H    5.260700      -2.627000      -2.080300    
 H    6.338200      -3.210400     -0.8548000    
 H    5.005200      -1.600300       1.910200    
 H    6.196300      -2.661800       1.249600    
 H   -6.526700      -2.880000     -0.2171000    


%chk=000000463-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000463

0 1
O 0.239586 2.817906 -1.974009
O 1.413236 3.963998 -0.328099
O -2.041024 0.697096 1.686739
O -5.469217 -2.896056 0.453008
O -5.790560 -1.016023 -0.868202
N -0.999907 1.207930 -0.322240
N 3.719359 -1.367977 -0.346025
N 5.615562 -2.586669 -1.012385
N 5.396903 -2.076775 1.268663
C 1.172840 1.188560 0.976812
C 0.029980 2.033313 0.325167
C 1.977839 0.341318 -0.027427
C 3.006013 -0.570708 0.670946
C 0.630501 3.045757 -0.641861
C -1.995022 0.603658 0.418367
C -3.057538 -0.144890 -0.395405
C -3.700133 -1.266925 0.437943
C -5.062879 -1.664757 -0.082748
C 4.837203 -1.973201 -0.016453
H 0.688959 0.541848 1.732358
H 1.839422 1.889487 1.515335
H -0.454433 2.600741 1.143853
H 2.521761 0.987155 -0.743916
H 1.301113 -0.299522 -0.623378
H -0.992653 1.148929 -1.342593
H 3.695085 0.063475 1.283362
H 2.458784 -1.229224 1.386674
H -3.847288 0.575305 -0.686589
H -2.630520 -0.540336 -1.335664
H -3.812696 -0.904950 1.480429
H -3.059460 -2.163620 0.499432
H 0.680915 3.480458 -2.570417
H 5.254736 -2.475265 -1.958789
H 6.109387 -3.451668 -0.795636
H 4.866479 -1.748286 2.070248
H 6.397962 -2.219256 1.383658
H -6.384692 -3.108227 0.123345


