%chk=000052294.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052294

0 1
 O   0.2659000       1.328100      0.7838000    
 O  -0.8046000     -0.9066000     -0.7300000    
 O  -0.9902000      0.7862000       2.635100    
 N    2.879300      0.8700000     -0.2501000    
 C    2.593800       1.909500      0.7274000    
 C    3.635900       1.414600      -1.380200    
 C    3.618500     -0.2336000      0.3678000    
 C    1.421400       1.509800       1.609200    
 C    2.889000       2.562100      -2.038800    
 C    3.862100      -1.356100     -0.6267000    
 C   2.5300000E-02  -3.152600     -0.7454000    
 C   -1.008300      -2.188000      -1.309500    
 C  -9.9799998E-02  -3.290100      0.7693000    
 C   -1.988800      0.8096000      0.4702000    
 C   -1.913700     -0.1170000     -0.5699000    
 C  -0.8912000      0.9635000       1.414900    
 C   0.9057000      -4.286800       1.323300    
 C   -3.125500       1.604900      0.6149000    
 C   -2.975500     -0.2482000      -1.465000    
 C   -4.187200       1.473700     -0.2803000    
 C   -4.112100      0.5472000      -1.320200    
 H    2.278100       2.848900      0.2673000    
 H    3.472700       2.143700       1.341300    
 H    4.636500       1.750500      -1.080300    
 H    3.760200      0.6545000      -2.158400    
 H    3.037900     -0.6636000       1.190700    
 H    4.576400      9.9100001E-02  0.7874000    
 H    1.618400      0.5972000       2.180900    
 H    1.218400       2.318700       2.321400    
 H    1.821300       2.346200      -2.156400    
 H    3.011400       3.509700      -1.505600    
 H    3.294700       2.728000      -3.043700    
 H    2.963800      -1.592300      -1.204400    
 H    4.675000      -1.122700      -1.321600    
 H    4.157800      -2.265200     -9.1200002E-02
 H  -9.6199997E-02  -4.131900      -1.222700    
 H    1.029700      -2.791100     -0.9877000    
 H  -0.8857000      -2.114400      -2.395900    
 H   -2.002100      -2.595700      -1.083200    
 H   6.2899999E-02  -2.321400       1.255800    
 H   -1.111900      -3.618800       1.032200    
 H    1.931100      -3.969900       1.107100    
 H   0.7980000      -4.370300       2.409200    
 H   0.7537000      -5.280300      0.8894000    
 H   -3.195900       2.332100       1.419800    
 H   -2.947600     -0.9320000      -2.308000    
 H   -5.071500       2.094400     -0.1689000    
 H   -4.936000      0.4509000      -2.021400    


%chk=000052294-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052294

0 1
O 0.152564 1.244828 0.828989
O -1.171103 -0.741803 -0.518810
O -1.174198 1.928617 2.617797
N 3.140402 0.684826 0.093109
C 2.496714 1.906364 0.636378
C 3.658866 0.867244 -1.289266
C 4.162751 0.142681 1.029149
C 1.358995 1.623241 1.620618
C 2.541668 0.961504 -2.345532
C 4.454102 -1.354520 0.818087
C 0.087572 -2.636820 -1.342727
C -1.201712 -1.831882 -1.518299
C 0.165857 -3.385022 0.006882
C -2.249698 1.107107 0.599880
C -2.287177 0.081201 -0.397301
C -1.072966 1.439087 1.460824
C 1.412089 -4.289967 0.105623
C -3.415859 1.883409 0.825726
C -3.462608 -0.091118 -1.177605
C -4.583433 1.704764 0.058390
C -4.594417 0.719739 -0.954472
H 2.079208 2.500995 -0.193978
H 3.242394 2.562430 1.154572
H 4.325827 1.766182 -1.361716
H 4.290883 -0.007668 -1.525963
H 3.779774 0.278176 2.058560
H 5.117655 0.728080 0.971796
H 1.595432 0.785840 2.301489
H 1.116249 2.514584 2.227987
H 1.888836 0.073757 -2.283542
H 1.903415 1.851220 -2.202372
H 2.977943 1.019705 -3.360336
H 3.522174 -1.936469 0.923922
H 4.875722 -1.561206 -0.182122
H 5.183670 -1.713390 1.567868
H 0.147773 -3.365107 -2.178120
H 0.953058 -1.953251 -1.438509
H -1.270696 -1.389536 -2.533435
H -2.091097 -2.473654 -1.342378
H 0.168166 -2.641595 0.825181
H -0.748751 -3.999793 0.138185
H 2.339882 -3.700570 -0.019342
H 1.464388 -4.798172 1.085861
H 1.402399 -5.069736 -0.679841
H -3.375302 2.634640 1.621220
H -3.500886 -0.860311 -1.953184
H -5.466142 2.324590 0.243137
H -5.489284 0.571279 -1.569484


