%chk=000094690.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094690

0 1
 O   -4.240100       2.456300      0.1726000    
 O    5.068700       1.372700      0.1556000    
 O   -2.318300      -2.671800      -1.098900    
 O   -1.337500      -4.043900      0.3187000    
 N   -1.335700      -3.073700     -0.4557000    
 C   5.2200001E-02  -1.198900      0.3876000    
 C   -1.082000     -0.2326000      0.3308000    
 C    1.420300     -0.4978000      0.3242000    
 C  -5.7599999E-02  -2.356100     -0.6409000    
 C   -1.950300     -0.1119000       1.415500    
 C    1.986700     -7.0799999E-02   1.498200    
 C   -1.274800      0.5504000     -0.8074000    
 C    2.009700     -0.3324000     -0.9035000    
 C   -3.011600      0.7917000       1.362300    
 C    3.226900      0.5652000       1.440800    
 C   -2.335900       1.454200     -0.8608000    
 C    3.250000      0.3034000     -0.9610000    
 C   -3.204300       1.574900      0.2241000    
 C    3.858700      0.7521000      0.2112000    
 C   -4.396300       3.228900      -1.001000    
 C    5.671100       1.540100      -1.112300    
 H   2.3200000E-02  -1.697700       1.369600    
 H  -5.9000000E-02  -2.019600      -1.683200    
 H   0.7510000      -3.086000     -0.5175000    
 H   -1.815600     -0.7143000       2.310000    
 H    1.499900     -0.2109000       2.458000    
 H  -0.6226000      0.4678000      -1.671400    
 H    1.561000     -0.6545000      -1.835200    
 H   -3.684900      0.8811000       2.210300    
 H    3.695700      0.9132000       2.357200    
 H   -2.433100       2.031000      -1.774400    
 H    3.687000      0.4212000      -1.946900    
 H   -5.270800       3.872200     -0.8581000    
 H   -4.602300       2.601200      -1.874800    
 H   -3.538900       3.890000      -1.168000    
 H    5.898000      0.5775000      -1.583300    
 H    6.626900       2.051800     -0.9580000    
 H    5.069000       2.180900      -1.765500    


%chk=000094690-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094690

0 1
O -4.493222 2.346837 0.218184
O 5.141164 1.521022 0.068565
O -2.080819 -3.598147 -1.286801
O -1.467755 -3.609359 0.908481
N -1.315875 -3.245367 -0.316969
C 0.056779 -1.218107 0.381255
C -1.120168 -0.230131 0.323567
C 1.419873 -0.532258 0.222372
C -0.118748 -2.357591 -0.652724
C -2.208513 -0.362280 1.227273
C 1.916008 0.245019 1.305977
C -1.169789 0.806408 -0.638316
C 2.206668 -0.605580 -0.950288
C -3.311631 0.507917 1.168496
C 3.147682 0.912504 1.226296
C -2.271111 1.687567 -0.715096
C 3.453144 0.059366 -1.051423
C -3.348995 1.534952 0.192979
C 3.925849 0.820967 0.042821
C -4.589021 3.413205 -0.780935
C 5.987656 1.449866 -1.124627
H 0.034946 -1.706067 1.375061
H -0.308020 -1.994977 -1.674156
H 0.756249 -3.033552 -0.645054
H -2.192730 -1.158380 1.980717
H 1.319885 0.327993 2.222584
H -0.328085 0.946040 -1.327084
H 1.865557 -1.186278 -1.815176
H -4.153189 0.410964 1.860880
H 3.531402 1.506084 2.061541
H -2.274656 2.480702 -1.468905
H 4.033783 -0.026609 -1.974783
H -5.554335 3.902999 -0.586371
H -4.579512 3.003281 -1.809804
H -3.768570 4.148528 -0.666799
H 6.295421 0.407558 -1.338288
H 6.873449 2.055982 -0.885155
H 5.473630 1.873822 -2.009395


