%chk=000115679.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115679

0 1
 O   -1.803200     -0.9078000       2.024800    
 O   -4.027500     -0.5638000       1.814600    
 N   0.6993000      0.4179000      -1.242700    
 N   -4.130700      -2.656700     -6.5499999E-02
 C   -1.425200     -0.1943000      -1.046600    
 C  -0.1880000     -0.5929000      -1.497900    
 C   -1.285600       1.110000     -0.4952000    
 C   5.6800000E-02   1.470700     -0.6309000    
 C   -2.674500     -0.9804000      -1.122300    
 C    2.110700      0.3863000      -1.568200    
 C   -2.928300      -1.881100      0.1095000    
 C   0.2257000      -1.852400      -2.152900    
 C   -2.175000       2.021300      0.1081000    
 C   0.5561000       2.702000     -0.1916000    
 C    2.922500     -0.1856000     -0.4376000    
 C   -1.689600       3.256600      0.5522000    
 C  -0.3447000       3.589800      0.4037000    
 C   -2.988600      -1.055600       1.386400    
 C    3.159500      -1.552600     -0.3885000    
 C    3.423300      0.6613000      0.5418000    
 C    3.911600      -2.082900      0.6598000    
 C    4.175600      0.1312000       1.590000    
 C    4.419600      -1.240900       1.649000    
 H   -2.674700      -1.598000      -2.029600    
 H   -3.521000     -0.2902000      -1.245000    
 H    2.436400       1.407600      -1.799700    
 H    2.271200     -0.1681000      -2.497100    
 H   -2.095300      -2.587000      0.2189000    
 H   0.5873000      -2.568700      -1.409900    
 H  -0.6253000      -2.325600      -2.654300    
 H   0.9829000      -1.718400      -2.928000    
 H   -3.227900       1.783300      0.2274000    
 H    1.592700       2.989200     -0.3190000    
 H   -2.371500       3.964400       1.015900    
 H   9.3999999E-03   4.557100      0.7508000    
 H   -4.938900      -2.042700     -0.1570000    
 H   -4.299100      -3.236900      0.7551000    
 H    2.803300      -2.220200      -1.165000    
 H    3.262900       1.732800      0.5057000    
 H    4.108600      -3.150100      0.7016000    
 H    4.575500      0.7872000       2.357700    
 H    5.007600      -1.653300       2.463600    
 H   -1.889900     -0.3677000       2.839100    


%chk=000115679-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115679

0 1
O -1.922936 -0.666487 2.346067
O -4.093478 -0.041966 1.802613
N 0.712485 0.448776 -1.306896
N -4.133542 -2.616957 0.296343
C -1.481020 -0.150195 -0.995738
C -0.225813 -0.604985 -1.419145
C -1.321198 1.238052 -0.599230
C 0.061516 1.585177 -0.797634
C -2.746728 -0.966369 -0.930597
C 2.146123 0.342837 -1.583701
C -2.949757 -1.747206 0.410726
C 0.179518 -1.954572 -1.938742
C -2.213816 2.222546 -0.096989
C 0.564552 2.872064 -0.504844
C 2.959678 -0.358535 -0.488817
C -1.718890 3.510182 0.188992
C -0.343916 3.831612 -0.010928
C -3.078505 -0.737594 1.562119
C 4.247777 -0.864028 -0.796938
C 2.465419 -0.490007 0.831398
C 5.035190 -1.482342 0.199457
C 3.251706 -1.111425 1.828755
C 4.538686 -1.607150 1.518308
H -2.775152 -1.737023 -1.721836
H -3.631666 -0.317397 -1.083118
H 2.533531 1.368231 -1.732835
H 2.295371 -0.184384 -2.545061
H -2.059730 -2.371261 0.595438
H 0.942427 -2.433764 -1.295864
H -0.695713 -2.623085 -1.978855
H 0.600793 -1.897667 -2.961764
H -3.270518 1.985953 0.071711
H 1.620923 3.127631 -0.643455
H -2.397611 4.279092 0.574726
H 0.013921 4.840058 0.225374
H -5.003330 -2.081197 0.184352
H -4.216672 -3.304032 1.053997
H 4.636544 -0.775817 -1.820025
H 1.466350 -0.113458 1.076158
H 6.028962 -1.869704 -0.052250
H 2.857336 -1.209306 2.846445
H 5.146319 -2.089149 2.292272
H -2.031139 0.049653 3.031207


