%chk=000074398.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074398

0 1
 O   4.4999998E-03   1.197300     -7.7000000E-03
 O   -5.462300      -1.769400      0.1201000    
 O    5.553800      -1.585500     -0.4825000    
 O   -2.990200      -2.518100       1.119400    
 O    3.109200      -2.259800      -1.595900    
 O   -5.813100      0.7811000     -0.9011000    
 O    5.828800      0.8155000      0.8704000    
 O   -1.326200       3.087800      0.1669000    
 O    1.286400       3.125900      7.4299999E-02
 C   -2.298000      0.9206000      9.2299998E-02
 C    2.317200      0.9931000     -0.1294000    
 C   -4.423200     -0.8866000      0.1096000    
 C    4.491000     -0.7395000     -0.3653000    
 C   -3.180000      -1.267000      0.6149000    
 C    3.261700      -1.082000     -0.9284000    
 C   -4.603900      0.3974000     -0.4042000    
 C    4.633400      0.4695000      0.3157000    
 C   -2.117400     -0.3634000      0.6062000    
 C    2.174800     -0.2157000     -0.8104000    
 C   -3.541300       1.301100     -0.4129000    
 C    3.546600       1.335800      0.4336000    
 C   -1.167200       1.880600      8.0600001E-02
 C    1.183100       1.895200     -4.1000000E-03
 C   -6.296200      -1.773300       1.276400    
 C    5.721500      -2.559600      0.5450000    
 C   -1.689200      -2.826300       1.616000    
 C    1.820100      -2.533500      -2.141300    
 C   -5.913400       2.110600      -1.407200    
 C    5.889700       2.068300       1.549200    
 H   -1.141900     -0.6143000       1.006800    
 H    1.208700     -0.4371000      -1.249500    
 H   -3.624400       2.309300     -0.8047000    
 H    3.600400       2.284800      0.9562000    
 H   -5.717100      -2.032500       2.168400    
 H   -6.774600     -0.7979000       1.410000    
 H   -7.075000      -2.527500       1.134400    
 H    5.872500      -2.074800       1.514800    
 H    4.854300      -3.226000      0.5897000    
 H    6.607900      -3.155300      0.3108000    
 H   -1.718300      -3.861500       1.971900    
 H   -1.427400      -2.203100       2.478000    
 H  -0.9332000      -2.785800      0.8241000    
 H    1.058700      -2.618400      -1.358200    
 H    1.546300      -1.808600      -2.915500    
 H    1.879500      -3.511200      -2.630900    
 H   -6.941900       2.244100      -1.758800    
 H   -5.260300       2.263700      -2.273100    
 H   -5.748300       2.855800     -0.6216000    
 H    6.912000       2.180800       1.925300    
 H    5.227500       2.087800       2.421500    
 H    5.709000       2.906600      0.8676000    


%chk=000074398-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000074398

0 1
O -0.022518 0.728562 0.108217
O -5.961148 -1.597906 0.524591
O 5.922969 -1.429081 -0.834385
O -3.662871 -2.591138 1.388708
O 3.605357 -2.315589 -1.756720
O -6.112714 0.947576 -0.708976
O 6.084779 0.856486 0.836264
O -1.157482 2.630712 -0.686922
O 1.117509 2.436941 1.257283
C -2.432791 0.665734 -0.013758
C 2.387717 0.636580 0.214985
C -4.844034 -0.787290 0.362726
C 4.793687 -0.736557 -0.415278
C -3.589022 -1.333222 0.783972
C 3.538417 -1.181890 -0.942248
C -4.857799 0.496155 -0.269709
C 4.815535 0.431069 0.411710
C -2.390651 -0.613129 0.592809
C 2.343616 -0.500446 -0.627650
C -3.662258 1.220016 -0.444482
C 3.619982 1.102104 0.733713
C -1.211507 1.475943 -0.222427
C 1.168635 1.394402 0.576942
C -7.194788 -1.021291 1.104627
C 6.952721 -1.809297 0.157884
C -2.402949 -3.191168 1.835922
C 2.354870 -2.769227 -2.372205
C -6.158119 2.239810 -1.402938
C 6.153985 2.100840 1.611167
H -1.427664 -1.008054 0.920439
H 1.378624 -0.829983 -1.015922
H -3.644230 2.206370 -0.915525
H 3.607813 1.996615 1.361696
H -6.976895 -0.577113 2.093998
H -7.630068 -0.262931 0.435757
H -7.869434 -1.882516 1.220403
H 7.437151 -0.919444 0.588231
H 6.499147 -2.421641 0.959917
H 7.671202 -2.414524 -0.414611
H -2.689673 -4.161095 2.267265
H -1.910014 -2.568673 2.607870
H -1.708352 -3.349277 0.987993
H 1.616186 -3.079892 -1.607346
H 1.914182 -1.982686 -3.014634
H 2.640287 -3.635709 -2.985952
H -7.215393 2.382864 -1.669517
H -5.539121 2.220648 -2.319804
H -5.822087 3.062367 -0.743323
H 7.225986 2.260679 1.797439
H 5.616030 2.006411 2.573724
H 5.741795 2.950885 1.035481


