%chk=000133822.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133822

0 1
 O    1.088300       1.151300      -2.410800    
 O    1.591200      -3.041100      -1.494700    
 O   -1.549700       1.189800      4.3000001E-03
 O   0.6908000      -1.808000      0.2210000    
 O   -2.615000       3.128900     -0.7335000    
 O   -7.126400      -1.682400     -0.1761000    
 O   -7.153800     -0.9199000       1.882300    
 N    2.336400     -0.9455000      -1.169100    
 N   0.8392000       2.140100     -0.3241000    
 N   -6.589900      -1.056400      0.7698000    
 C    2.453700      0.3605000     -0.5710000    
 C    3.853900      0.9574000     -0.7537000    
 C    4.858900      0.3982000      0.2235000    
 C    1.407200       1.253200      -1.228100    
 C    5.584000     -0.7324000     -0.1193000    
 C    5.039600       1.025100       1.446400    
 C  -0.2141000       3.065400     -0.6753000    
 C    6.513100      -1.249100      0.7837000    
 C    5.968800      0.5084000       2.349500    
 C    1.465300      -1.920000     -0.7235000    
 C    6.705500     -0.6286000       2.018000    
 C   -1.598400       2.489900     -0.4805000    
 C   -2.814200      0.6268000      0.1962000    
 C   -3.396600     -6.1099999E-02 -0.8449000    
 C   -3.427700      0.7807000       1.419400    
 C   -5.304400     -0.4850000      0.5752000    
 C   -4.658200     -0.6243000     -0.6529000    
 C   -4.689200      0.2175000       1.611400    
 C   0.7418000      -4.139200      -1.143200    
 H    2.214000      0.2625000      0.4957000    
 H    4.211800      0.8052000      -1.781200    
 H    3.817400       2.048100     -0.6261000    
 H    2.888300      -1.151500      -1.996700    
 H    5.442300      -1.222800      -1.078100    
 H    4.468700       1.909400       1.714700    
 H    1.159300       2.141900      0.6399000    
 H  -0.1060000       3.940200     -2.8100001E-02
 H  -0.1028000       3.354000      -1.724600    
 H    7.086800      -2.134500      0.5257000    
 H    6.118000      0.9910000       3.310900    
 H    7.428800      -1.031000       2.721200    
 H   -2.892000     -0.1703000      -1.799800    
 H   -2.947900       1.326600       2.225600    
 H   -5.106700      -1.164700      -1.482600    
 H   -5.162700      0.3463000       2.581400    
 H   0.9430000      -4.959900      -1.836900    
 H   0.9617000      -4.476900     -0.1260000    
 H  -0.3093000      -3.849600      -1.236700    


%chk=000133822-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133822

0 1
O 1.431061 2.957653 -1.188159
O 0.826881 -1.943322 1.015125
O -1.730717 1.349706 0.134381
O 1.000840 0.020591 2.304327
O -3.004129 3.245252 0.725274
O -5.128742 -3.745138 -1.578291
O -6.824665 -2.225615 -1.428766
N 1.935018 -0.146303 0.161123
N 0.593139 2.478227 0.936673
N -5.579060 -2.556581 -1.343401
C 2.553067 1.198027 0.165578
C 3.680266 1.278028 -0.891094
C 4.750368 0.210964 -0.711470
C 1.480108 2.295838 -0.108058
C 4.900011 -0.830837 -1.661889
C 5.620426 0.233337 0.410008
C -0.550953 3.364088 0.790364
C 5.887365 -1.830095 -1.495767
C 6.608228 -0.760691 0.579751
C 1.246727 -0.628051 1.241603
C 6.743589 -1.798994 -0.372413
C -1.904796 2.682824 0.566676
C -2.778691 0.455640 -0.210336
C -2.318918 -0.856577 -0.483347
C -4.152350 0.795079 -0.305456
C -4.605891 -1.511519 -0.951359
C -3.236642 -1.850711 -0.857168
C -5.069046 -0.206420 -0.681771
C 0.109194 -2.577814 2.145585
H 2.965276 1.366428 1.179820
H 3.223645 1.219580 -1.895527
H 4.116780 2.290536 -0.819761
H 2.127754 -0.780025 -0.617147
H 4.253583 -0.849279 -2.549192
H 5.531813 1.038800 1.150544
H 0.643623 1.817031 1.730608
H -0.671166 4.027088 1.665398
H -0.360312 4.005432 -0.093452
H 5.990510 -2.624880 -2.243004
H 7.274552 -0.725173 1.448968
H 7.511300 -2.569687 -0.242295
H -1.250490 -1.075700 -0.400781
H -4.492228 1.807138 -0.087076
H -2.917297 -2.872207 -1.077435
H -6.136622 0.011863 -0.767957
H -0.079710 -3.607137 1.810340
H 0.736507 -2.565354 3.051817
H -0.836407 -2.046842 2.346709


