%chk=000119043.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119043

0 1
 O    4.976100      -1.096100     -0.8364000    
 O   -4.534500     -0.6216000       1.953900    
 C  -0.3187000     -0.2601000      8.4500000E-02
 C   -1.824400     -6.7500003E-02 -0.2414000    
 C   0.5010000       1.011400     -0.3243000    
 C    1.961200      0.7875000      8.7399997E-02
 C    2.591700     -0.4594000     -0.5776000    
 C   -2.294200       1.181600      0.5342000    
 C   0.2912000      -1.565200     -0.4734000    
 C  -8.3300002E-02   2.301800      0.2942000    
 C    1.790000      -1.704000     -0.1427000    
 C   -2.770600      -1.125900      0.3655000    
 C   -1.597100       2.451800      7.7299997E-02
 C    4.057200     -0.3429000     -5.8600001E-02
 C    2.977700       1.892400     -0.1862000    
 C   -3.814800       1.124600      0.4493000    
 C   -4.114100     -0.3841000      0.6116000    
 C    4.345300       1.178400     -0.1667000    
 C   -2.074200      8.5000005E-03  -1.769300    
 C    2.582400     -0.3983000      -2.134700    
 C    4.214800     -0.7787000       1.343400    
 C   -5.170800     -0.8217000     -0.3103000    
 C    4.342500      -1.133000       2.483300    
 C   -6.034500      -1.179700      -1.063200    
 H  -0.2359000     -0.3452000       1.179800    
 H   0.4595000       1.141000      -1.410400    
 H    1.952400      0.6415000       1.179300    
 H   -2.043300       1.052200       1.600200    
 H   0.1532000      -1.627300      -1.556600    
 H  -0.2380000      -2.427300     -5.0000001E-02
 H   0.4233000       3.179500     -0.1239000    
 H   0.1183000       2.309300       1.373500    
 H    1.871500      -1.864300      0.9385000    
 H    2.191000      -2.605900     -0.6207000    
 H   -2.366700      -1.492900       1.318400    
 H   -2.878900      -1.999300     -0.2885000    
 H   -1.963100       3.310100      0.6526000    
 H   -1.808000       2.665900     -0.9759000    
 H    2.932500       2.681500      0.5715000    
 H    2.808700       2.362100      -1.161700    
 H   -4.270000       1.733700       1.238600    
 H   -4.160300       1.521000     -0.5127000    
 H    4.897000       1.414300      -1.084900    
 H    4.957600       1.546600      0.6654000    
 H   -3.114900      0.2353000      -2.016500    
 H   -1.467600      0.7732000      -2.260300    
 H   -1.847300     -0.9484000      -2.251100    
 H    1.578800     -0.3062000      -2.556500    
 H    3.164600      0.4429000      -2.523600    
 H    3.019600      -1.311600      -2.555200    
 H    5.876600     -0.8255000     -0.5871000    
 H   -5.336400     -9.6199997E-02   2.118300    
 H    4.454800      -1.447200       3.494500    
 H   -6.800400      -1.497100      -1.731500    


%chk=000119043-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000119043

0 1
O 4.984592 -1.173142 -0.808080
O -4.248075 -0.628885 2.083994
C -0.326212 -0.233848 -0.005823
C -1.833248 -0.033017 -0.356316
C 0.505570 1.046463 -0.372864
C 1.964305 0.812622 0.073692
C 2.611773 -0.445564 -0.585243
C -2.333776 1.227411 0.427213
C 0.303622 -1.529424 -0.585255
C -0.087786 2.329865 0.273128
C 1.795988 -1.699307 -0.191685
C -2.785082 -1.129219 0.213579
C -1.607538 2.515201 0.011485
C 4.066329 -0.346435 0.012023
C 3.014343 1.937213 -0.137367
C -3.866897 1.128036 0.337250
C -4.120313 -0.397634 0.612825
C 4.393141 1.195208 -0.096323
C -2.063337 0.083168 -1.889051
C 2.720422 -0.340946 -2.130937
C 4.154098 -0.792433 1.420693
C -5.323971 -0.904350 -0.071292
C 4.311568 -1.149511 2.591055
C -6.349909 -1.311796 -0.621326
H -0.277562 -0.324930 1.105207
H 0.489001 1.180348 -1.475074
H 1.924770 0.606298 1.167473
H -2.074272 1.041174 1.493974
H 0.210509 -1.538792 -1.687818
H -0.267363 -2.405377 -0.218978
H 0.470096 3.215644 -0.088208
H 0.074958 2.278488 1.371445
H 1.867822 -1.851822 0.903687
H 2.218119 -2.602112 -0.673698
H -2.380650 -1.564472 1.146105
H -2.970896 -1.951613 -0.496989
H -1.981406 3.382232 0.591531
H -1.791742 2.745170 -1.056745
H 2.940128 2.715336 0.641983
H 2.862597 2.435394 -1.113846
H -4.394485 1.749895 1.083019
H -4.237922 1.414181 -0.663263
H 4.962012 1.347783 -1.031038
H 5.022143 1.535130 0.744326
H -3.132446 0.225001 -2.127796
H -1.506095 0.920925 -2.342537
H -1.744124 -0.845235 -2.396116
H 1.723797 -0.329782 -2.602850
H 3.254070 0.568234 -2.457594
H 3.280086 -1.207347 -2.520047
H 5.842470 -1.264496 -0.319964
H -5.126506 -0.271510 2.378289
H 4.427589 -1.470293 3.609884
H -7.235807 -1.677634 -1.106439


