%chk=000168041.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168041

0 1
 O    4.765700      -1.749900     -7.3600002E-02
 O   -4.733000     -0.5670000      1.3000000E-03
 O   -3.054600     -0.2957000      -1.562600    
 C    1.743000     -0.4965000     -0.5348000    
 C    1.128900      0.8688000      9.7000003E-03
 C  -0.4494000      0.9530000     -4.1200001E-02
 C   -1.004200     -0.4452000      0.3986000    
 C    2.943300     -0.1594000      -1.418800    
 C    3.880100      0.5128000     -0.3643000    
 C    2.479100      -1.281600      0.6082000    
 C   0.7439000      -1.376300      -1.276800    
 C    3.950900     -0.7553000      0.5655000    
 C    1.873700       2.132000     -0.5548000    
 C  -0.5755000      -1.591300     -0.5436000    
 C    3.430900       1.988100     -0.5811000    
 C   -2.520200     -0.4950000      0.7883000    
 C  -0.9067000       2.025000      0.9935000    
 C  -0.9505000       1.398500      -1.433700    
 C   -2.880200      0.6576000       1.748200    
 C   -2.406000       2.022300       1.263200    
 C    4.552900     -0.5527000       1.961500    
 C   -2.856900      -1.825200       1.495800    
 C   -3.439500     -0.4377000     -0.4099000    
 C   -5.715500     -0.5294000      -1.038600    
 H    1.381400      0.8902000       1.080900    
 H  -0.4807000     -0.6556000       1.346600    
 H    2.687000      0.4666000      -2.282700    
 H    3.388700      -1.059600      -1.864300    
 H    4.893600      0.5454000     -0.7955000    
 H    2.004300      -1.099100       1.578100    
 H    2.453900      -2.362600      0.4267000    
 H    1.184700      -2.355000      -1.508100    
 H   0.5387000     -0.9360000      -2.259300    
 H    1.609100       3.026600      1.9200001E-02
 H    1.564700       2.322300      -1.587400    
 H   -1.334900      -1.843000      -1.288100    
 H  -0.4724000      -2.498900      6.7100003E-02
 H    3.822900       2.396800      -1.521200    
 H    3.857100       2.591400      0.2290000    
 H  -0.6157000       3.027300      0.6569000    
 H  -0.3923000       1.861700       1.949900    
 H   -2.007700       1.665900      -1.437300    
 H  -0.4671000       2.327000      -1.751900    
 H  -0.7762000      0.6669000      -2.222000    
 H   -2.415300      0.4653000       2.725400    
 H   -3.959100      0.7101000       1.939200    
 H   -2.969400       2.326800      0.3755000    
 H   -2.629200       2.770300       2.033700    
 H    5.597800     -0.2329000       1.885400    
 H    3.997500      0.2066000       2.520800    
 H    4.543100      -1.486700       2.533800    
 H   -2.147100      -2.027900       2.306100    
 H   -3.856400      -1.816600       1.946800    
 H   -2.824000      -2.673700      0.8027000    
 H    4.729600      -2.559200      0.4645000    
 H   -5.677900      0.4319000      -1.559900    
 H   -6.701100     -0.6416000     -0.5793000    
 H   -5.557500      -1.355600      -1.738300    


%chk=000168041-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168041

0 1
O 5.064637 -1.489453 -0.108729
O -4.417130 0.385485 -0.353145
O -3.463700 -1.519527 -1.247905
C 1.722063 -0.600972 -0.602689
C 1.072743 0.709337 0.035538
C -0.510778 0.786759 0.010958
C -1.028088 -0.599768 0.549496
C 2.812429 -0.222903 -1.652613
C 3.864453 0.477110 -0.761039
C 2.625441 -1.293403 0.475080
C 0.666674 -1.551698 -1.201440
C 4.013710 -0.557799 0.410023
C 1.779486 1.984403 -0.494511
C -0.548028 -1.832127 -0.285956
C 3.324351 1.884777 -0.361283
C -2.573550 -0.649891 0.912144
C -0.927750 1.892840 1.040598
C -1.085261 1.171468 -1.380626
C -2.897306 0.516647 1.889498
C -2.430108 1.899023 1.391075
C 4.488077 -0.007808 1.765387
C -2.878835 -1.999941 1.636931
C -3.476921 -0.655737 -0.336927
C -5.345525 0.383639 -1.510047
H 1.310032 0.665695 1.122238
H -0.547117 -0.686427 1.552550
H 2.433812 0.407917 -2.476189
H 3.235903 -1.143735 -2.096245
H 4.854594 0.570790 -1.239655
H 2.179005 -1.263513 1.486486
H 2.774792 -2.356053 0.199205
H 1.155658 -2.513331 -1.457858
H 0.317106 -1.136063 -2.165132
H 1.423656 2.879757 0.048474
H 1.520709 2.143335 -1.558024
H -1.375522 -2.209735 -0.910478
H -0.290134 -2.646444 0.418680
H 3.786130 2.645643 -1.019556
H 3.634147 2.144875 0.667896
H -0.640496 2.888594 0.650986
H -0.347631 1.737636 1.975747
H -2.177419 1.323259 -1.333075
H -0.648101 2.125329 -1.727981
H -0.891736 0.410789 -2.152854
H -2.377993 0.286706 2.843875
H -3.980852 0.533198 2.106140
H -3.036990 2.199492 0.518930
H -2.617298 2.654363 2.179806
H 5.434704 0.550739 1.652308
H 3.738220 0.658731 2.227981
H 4.663776 -0.839899 2.475656
H -2.205080 -2.112825 2.506181
H -3.920907 -2.013614 2.007595
H -2.740295 -2.862250 0.965523
H 5.159159 -2.236541 0.537133
H -4.782409 0.497769 -2.451916
H -6.009734 1.242035 -1.336224
H -5.912474 -0.561679 -1.545024


