%chk=000116288.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116288

2 1
 O   -6.067700       1.142600      0.4262000    
 O    6.047300       1.154000      0.4641000    
 O   4.4999998E-03 -0.8804000      0.4759000    
 N   -3.657400     -0.3623000     -8.8600002E-02
 N    3.663500     -0.3709000     -0.1119000    
 C   -3.667100       1.160000      9.0200000E-02
 C   -4.881000     -0.9628000      0.6131000    
 C    4.889700     -0.9723000      0.5843000    
 C    3.649700       1.146300      0.1076000    
 C   -2.393600     -0.9222000      0.5722000    
 C    2.402500     -0.9662000      0.5227000    
 C   -3.612000     -0.7521000      -1.564700    
 C    3.636000     -0.7211000      -1.598300    
 C   -5.011100       1.741400     -0.3205000    
 C   -6.154000     -0.2575000      0.1719000    
 C    6.156100     -0.2375000      0.1733000    
 C    4.988500       1.757500     -0.2756000    
 C   -1.171800     -0.3374000     -0.1088000    
 C    1.177900     -0.3590000     -0.1329000    
 H   -2.883000       1.605500     -0.5273000    
 H   -3.476400       1.358400       1.151300    
 H   -4.727000     -0.8175000       1.688900    
 H   -4.907700      -2.034300      0.3884000    
 H    4.933700      -2.037000      0.3316000    
 H    4.725200     -0.8579000       1.662200    
 H    3.445000       1.314600       1.171200    
 H    2.870000       1.599300     -0.5096000    
 H   -2.414600     -0.6658000       1.638300    
 H   -2.416600      -2.015600      0.4896000    
 H    2.431600      -2.055200      0.3964000    
 H    2.421300     -0.7524000       1.598200    
 H   -4.598800     -0.6028000      -2.007200    
 H   -2.906600     -0.1104000      -2.098400    
 H   -3.339000      -1.808600      -1.644200    
 H    4.617900     -0.5253000      -2.033200    
 H    3.399000      -1.783700      -1.706600    
 H    2.907500     -9.1799997E-02  -2.115400    
 H   -5.024900       2.815100     -0.1065000    
 H   -5.203600       1.624200      -1.392900    
 H   -6.400400     -0.4298000     -0.8805000    
 H   -6.996500     -0.6415000      0.7569000    
 H    6.999300     -0.6251000      0.7547000    
 H    6.412900     -0.3781000     -0.8814000    
 H    5.192100       1.672500      -1.349100    
 H    4.985100       2.825100     -3.2699998E-02
 H   -1.137300     -0.5793000      -1.173700    
 H   -1.120200      0.7472000      1.5100000E-02
 H    1.139800      0.7253000     -9.2000002E-03
 H    1.124600     -0.6019000      -1.197400    


%chk=000116288-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116288

2 1
O -6.288421 0.763464 0.989113
O 6.288869 0.789858 0.982007
O 0.001355 -0.423147 -0.053102
N -3.782842 -0.293754 -0.194511
N 3.785307 -0.282380 -0.191848
C -4.074294 1.220293 0.004926
C -4.682910 -1.099080 0.796736
C 4.686754 -1.077182 0.806741
C 4.074574 1.233935 -0.007321
C -2.323199 -0.613457 0.179136
C 2.326238 -0.600190 0.185522
C -4.070598 -0.725698 -1.632276
C 4.073498 -0.727812 -1.625463
C -5.581426 1.526234 -0.039211
C -6.157715 -0.672106 0.730173
C 6.160855 -0.648229 0.736236
C 5.581220 1.541716 -0.053926
C -1.236800 0.041745 -0.697298
C 1.238575 0.045431 -0.696430
H -3.530249 1.777038 -0.776569
H -3.672874 1.480279 0.999242
H -4.284598 -0.890810 1.804026
H -4.552343 -2.169684 0.561216
H 4.557885 -2.150100 0.581001
H 4.288221 -0.860311 1.812111
H 3.672606 1.503185 0.984307
H 3.529753 1.781933 -0.794440
H -2.177197 -0.293712 1.224729
H -2.211918 -1.710571 0.133970
H 2.215767 -1.697783 0.150291
H 2.180689 -0.271258 1.228333
H -5.149364 -0.669506 -1.829211
H -3.543695 -0.058340 -2.330151
H -3.728822 -1.763646 -1.767285
H 5.152158 -0.671642 -1.823056
H 3.733469 -1.767599 -1.750398
H 3.545504 -0.068241 -2.329893
H -5.734002 2.588554 0.209015
H -6.017530 1.340833 -1.042620
H -6.640057 -0.944827 -0.231240
H -6.706230 -1.179581 1.539677
H 6.710301 -1.147313 1.550304
H 6.643573 -0.928787 -0.222707
H 6.018137 1.347278 -1.055243
H 5.732165 2.606586 0.184124
H -1.274345 -0.305445 -1.749731
H -1.286771 1.149631 -0.675129
H 1.282729 1.153617 -0.678917
H 1.280399 -0.306119 -1.747263


