%chk=000129568.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129568

0 1
 O    1.689000     -0.5306000      0.3141000    
 O    3.234500      0.4697000      -1.179700    
 O   -1.820800      0.3520000     -0.2480000    
 O   0.7120000      -2.691400      -1.338800    
 O    3.454700      -2.675800      0.7082000    
 O   -2.114900      -3.257600     -0.7317000    
 O   -3.700300     -0.9146000     -0.8021000    
 O    5.894600      -1.300100       1.436100    
 O    5.560800       1.553000       1.466700    
 O   -1.017400       2.638000       1.050000    
 O    3.043800       3.161200      -1.594800    
 O   -5.516600      -1.389900       1.437300    
 O   -4.014500       1.938500      -1.352800    
 N   -4.492600      2.4599999E-02 -0.1086000    
 C   0.4372000     -0.5214000     -0.3671000    
 C  -0.1100000      -1.947200     -0.4383000    
 C  -0.5361000      0.3974000      0.3752000    
 C    2.770700     -0.7467000     -0.5903000    
 C    3.932100      -1.505600      5.3800002E-02
 C   -1.554600      -1.961100     -0.9381000    
 C    4.686300     -0.6363000       1.058000    
 C    5.054300      0.7111000      0.4336000    
 C    3.837100       1.363100     -0.2364000    
 C   -2.412900     -0.9435000     -0.1866000    
 C  -6.7299999E-02   1.848900      0.3575000    
 C    4.213600       2.629800      -1.000300    
 C   -5.293400     -0.3072000      0.9272000    
 C   -4.554300       1.331000     -0.4461000    
 C   -5.876200      0.9708000       1.376800    
 C   -5.438700       1.939700      0.5649000    
 H   0.5626000     -0.1320000      -1.388600    
 H  -2.7300000E-02  -2.440200      0.5382000    
 H  -0.6448000      8.8299997E-02   1.423800    
 H    2.454200      -1.357500      -1.436600    
 H    4.634500      -1.831200     -0.7236000    
 H   -1.578900      -1.768700      -2.017900    
 H    4.099800     -0.5034000       1.975500    
 H    5.855600      0.5688000     -0.3029000    
 H    3.091800       1.636800      0.5190000    
 H   -2.536700      -1.252200      0.8610000    
 H   0.8949000       1.967900      0.8590000    
 H   1.1800000E-02   2.235800     -0.6637000    
 H    4.642200       3.387500     -0.3381000    
 H    4.928500       2.416200      -1.801700    
 H   0.3416000      -3.588800      -1.395000    
 H    2.789200      -2.399400       1.361400    
 H   -3.034500      -3.231000      -1.047100    
 H    6.290200     -0.7981000       2.168400    
 H    6.409900       1.182900       1.760900    
 H   -1.874100       2.526400      0.6034000    
 H    2.666000       2.473000      -2.168800    
 H   -6.544700       1.074800       2.214500    
 H   -5.680900       2.987900      0.6113000    


%chk=000129568-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129568

0 1
O 1.889322 -0.496086 0.403684
O 3.485863 0.006522 -1.362541
O -1.471507 1.093929 -0.023868
O 0.382497 -2.489605 -1.198874
O 3.463643 -2.485195 1.469527
O -2.407932 -2.483997 -0.628174
O -3.553164 0.340782 -0.718074
O 5.910258 -0.934421 1.959472
O 5.991134 1.705692 0.836742
O -0.215336 3.163135 1.357797
O 3.502335 2.525161 -2.596176
O -5.228599 -2.009120 -0.616223
O -4.974515 2.469081 0.840912
N -4.717145 0.207964 0.078066
C 0.602478 -0.243544 -0.273553
C -0.255808 -1.519224 -0.312137
C -0.118623 0.841562 0.557304
C 2.956423 -1.016487 -0.482695
C 4.032961 -1.565629 0.476324
C -1.688878 -1.228320 -0.802873
C 4.775172 -0.419136 1.186928
C 5.349958 0.572558 0.168836
C 4.202281 1.136035 -0.684300
C -2.313067 -0.078371 0.005357
C 0.555560 2.218382 0.555667
C 4.653497 2.052058 -1.822072
C -5.552345 -0.931551 -0.055406
C -5.415658 1.317349 0.673259
C -6.841913 -0.553999 0.617700
C -6.763967 0.740829 1.038348
H 0.789000 0.119899 -1.303860
H -0.330272 -1.930980 0.719562
H -0.240099 0.491796 1.605500
H 2.539558 -1.789015 -1.147012
H 4.755345 -2.167709 -0.100989
H -1.661263 -0.912801 -1.867758
H 4.067242 0.116307 1.856045
H 6.079703 0.033764 -0.475239
H 3.484596 1.671447 -0.034362
H -2.582086 -0.388102 1.037978
H 1.542640 2.148200 1.037079
H 0.683539 2.572059 -0.489250
H 5.135336 2.947848 -1.403018
H 5.379027 1.514224 -2.468560
H -0.231280 -3.266433 -1.274228
H 2.587198 -2.097369 1.737050
H -3.370154 -2.390211 -0.891191
H 5.576977 -1.678882 2.524591
H 6.591037 1.332008 1.533585
H -1.135211 3.194148 0.985462
H 3.024382 1.719188 -2.922671
H -7.661978 -1.263426 0.729565
H -7.507163 1.331282 1.574867


