%chk=000150233.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150233

0 1
 O    4.898400      -2.893800     -3.7900001E-02
 O   -2.657100       1.144900       1.758600    
 N   0.1716000     -5.2800000E-02  0.3493000    
 N   -3.042600      0.7871000     -0.4997000    
 N   -5.365700      -2.085900     -2.9700000E-02
 N    3.707600       2.002900     -0.5654000    
 C    1.304600       2.009200     -0.1535000    
 C   0.1440000       1.279800      0.1550000    
 C    2.543400     -7.8100003E-02 -5.4400001E-02
 C    2.508900       1.305400     -0.2552000    
 C   -1.058100       1.974900      0.2576000    
 C    1.334200     -0.7260000      0.2501000    
 C   -4.300700      9.2500001E-02 -0.3470000    
 C   -4.088500      -1.408100     -0.2111000    
 C    1.240900       3.399700     -0.3504000    
 C   -2.296400       1.272700      0.5777000    
 C   -1.125100       3.356600      6.2500000E-02
 C    3.739400     -0.8106000     -0.1505000    
 C   2.6500000E-02   4.070900     -0.2421000    
 C    1.362000      -2.103400      0.4510000    
 C    3.740200      -2.187100      5.4900002E-02
 C    2.548800      -2.834400      0.3563000    
 C   -5.166100      -3.526600      0.1398000    
 C   -6.253500      -1.827400      -1.165100    
 C    6.083400      -2.162300     -0.3508000    
 H   -4.824600      0.4952000      0.5274000    
 H   -4.871200      0.3549000      -1.242400    
 H   -3.550200      -1.790100      -1.089200    
 H   -3.444200      -1.596200      0.6576000    
 H    2.106200       4.008200     -0.5900000    
 H   -2.072200       3.883600      0.1470000    
 H    4.660000     -0.2973000     -0.3853000    
 H   -2.687800      0.9239000      -1.442100    
 H  -2.0700000E-02   5.144800     -0.3945000    
 H   0.4412000      -2.633500      0.6881000    
 H    2.531900      -3.908500      0.5197000    
 H    4.596700       1.536000     -0.6470000    
 H    3.713300       3.000100     -0.7152000    
 H   -4.525400      -3.727000       1.005900    
 H   -4.707700      -3.987100     -0.7429000    
 H   -6.120600      -4.028000      0.3354000    
 H   -5.773800      -2.035400      -2.128500    
 H   -6.632100     -0.8006000      -1.162500    
 H   -7.149600      -2.456700      -1.098400    
 H    6.328900      -1.437200      0.4326000    
 H    6.023900      -1.702900      -1.343500    
 H    6.906800      -2.883500     -0.3843000    


%chk=000150233-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150233

0 1
O 4.923757 -2.816313 -1.351780
O -3.573686 2.057768 0.049923
N 0.169858 0.050145 -0.520274
N -2.494096 0.104396 -0.631879
N -5.663204 -1.920599 -0.019044
N 3.815343 2.071178 0.345249
C 1.366006 2.077479 0.245313
C 0.142670 1.345984 -0.062706
C 2.652769 0.059225 -0.417856
C 2.632296 1.413711 0.062623
C -1.138405 2.012220 0.120849
C 1.377203 -0.571027 -0.692266
C -3.739854 -0.600509 -0.951112
C -4.441545 -1.155345 0.316915
C 1.272349 3.428277 0.718239
C -2.500807 1.390328 -0.154213
C -1.163384 3.330509 0.586233
C 3.867230 -0.681743 -0.633669
C 0.033417 4.043814 0.885253
C 1.372711 -1.928652 -1.174293
C 3.814605 -1.996695 -1.102931
C 2.552051 -2.626675 -1.375802
C -6.662055 -1.922646 1.067762
C -5.380037 -3.283098 -0.508492
C 6.251982 -2.255177 -1.100980
H -4.441268 0.092832 -1.447460
H -3.500145 -1.418010 -1.655259
H -3.710169 -1.765002 0.907362
H -4.725531 -0.287091 0.937196
H 2.173256 4.006055 0.958696
H -2.149375 3.791472 0.710050
H 4.841789 -0.224574 -0.435655
H -1.542121 -0.320935 -0.736509
H -0.024631 5.075838 1.246258
H 0.400773 -2.388642 -1.376126
H 2.559570 -3.657755 -1.741601
H 4.713400 1.615336 0.223397
H 3.818097 3.027951 0.683326
H -6.912371 -0.883344 1.343263
H -6.317462 -2.453947 1.992445
H -7.588157 -2.416788 0.720094
H -4.911250 -3.940651 0.269786
H -4.698709 -3.246851 -1.376302
H -6.318947 -3.762514 -0.839970
H 6.375731 -1.979059 -0.035134
H 6.441007 -1.370972 -1.741315
H 6.958240 -3.057105 -1.359708


