%chk=000088047.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088047

0 1
 O   -1.566700      0.2433000       1.404700    
 O    4.647600      -1.406700      0.8247000    
 O    5.615300     -0.3318000     -0.9132000    
 O   0.6310000      -1.254100      -1.660700    
 N    2.163400     -0.8856000      4.7499999E-02
 N   -1.301900      -1.761000      0.2629000    
 N   -4.179500      -1.503800       1.257700    
 C    3.003800       1.240300     -0.9043000    
 C    2.717500       2.059400      0.3748000    
 C   -5.561000      0.7356000     -0.3162000    
 C   -4.100000      0.7084000      0.1826000    
 C    3.201700     -0.2755000     -0.7519000    
 C   -3.477900     -0.6952000      0.2573000    
 C    2.473500       3.544300      0.1152000    
 C    3.889800       1.898600       1.350100    
 C   -6.153400       2.145500     -0.3183000    
 C   -5.635300      0.1431000      -1.726300    
 C   -2.020900     -0.6605000      0.7054000    
 C   9.1600001E-02  -1.970900      0.5825000    
 C    4.603700     -0.6472000     -0.2959000    
 C   0.9577000      -1.326300     -0.4787000    
 H    3.871300       1.672700      -1.420200    
 H    2.150000       1.395800      -1.578700    
 H    1.814300       1.664200      0.8563000    
 H   -6.189100      0.1300000      0.3471000    
 H   -4.058500       1.184400       1.172200    
 H   -3.480500       1.336500     -0.4722000    
 H    3.120100     -0.7200000      -1.753400    
 H   -3.523000      -1.188500     -0.7187000    
 H    2.241300       4.074100       1.045000    
 H    1.628800       3.680800     -0.5680000    
 H    3.352600       4.016400     -0.3364000    
 H    4.850200       2.109400      0.8683000    
 H    3.784900       2.590400       2.193900    
 H    3.918400      0.8962000       1.782800    
 H   -6.126000       2.576200      0.6881000    
 H   -7.197200       2.132000     -0.6490000    
 H   -5.593200       2.809200     -0.9856000    
 H   -4.931000      0.6350000      -2.405800    
 H   -6.641300      0.2659000      -2.143200    
 H   -5.427000     -0.9307000      -1.727500    
 H    2.339400     -0.9930000       1.042200    
 H   0.2840000      -3.047700      0.5909000    
 H   0.3017000      -1.556600       1.573400    
 H   -1.762700      -2.458100     -0.3144000    
 H   -3.768900      -2.436900       1.289400    
 H   -5.148300      -1.641700      0.9746000    
 H    5.567000      -1.643200       1.071600    


%chk=000088047-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088047

0 1
O -0.633149 -1.620240 1.572307
O 3.030178 -0.686534 2.226665
O 4.521233 0.824861 1.288496
O 1.952587 -1.995332 -2.222532
N 1.768755 -1.224549 -0.026221
N -1.080250 -2.276200 -0.606430
N -3.439064 -1.063973 1.947984
C 2.462860 1.048987 -0.921206
C 1.174238 1.751862 -0.424868
C -3.954192 1.339936 0.137298
C -2.630907 0.538068 0.226799
C 2.868840 -0.264595 -0.174011
C -2.814455 -0.956520 0.618474
C 0.848516 2.938134 -1.364515
C 1.259604 2.229716 1.044758
C -3.641209 2.846677 -0.022282
C -4.855437 0.845855 -1.019028
C -1.427336 -1.648131 0.571084
C 0.211663 -2.972724 -0.769389
C 3.564090 0.034377 1.150058
C 1.389259 -2.019699 -1.082496
H 3.322710 1.744359 -0.862139
H 2.330169 0.771753 -1.983665
H 0.343383 1.020410 -0.498752
H -4.494867 1.181394 1.090623
H -1.966081 1.005340 0.982302
H -2.101546 0.599741 -0.747337
H 3.636614 -0.743809 -0.817184
H -3.487136 -1.440480 -0.116469
H -0.106579 3.418083 -1.079139
H 0.765448 2.608757 -2.417274
H 1.641742 3.708602 -1.313058
H 2.129584 2.897055 1.194030
H 0.348551 2.793869 1.320055
H 1.346491 1.385538 1.752772
H -3.040250 3.225045 0.826103
H -4.571457 3.442624 -0.070291
H -3.071314 3.037154 -0.953404
H -4.331269 0.927143 -1.992183
H -5.776199 1.454483 -1.083068
H -5.168114 -0.205386 -0.880048
H 1.255768 -1.305249 0.865910
H 0.132896 -3.683903 -1.605779
H 0.419685 -3.523838 0.165906
H -1.712248 -2.226274 -1.407437
H -3.777536 -2.010188 2.160417
H -2.793421 -0.744321 2.683020
H 3.526452 -0.455177 3.057745


