%chk=000014431.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014431

0 1
 O    6.197800       1.165100     -0.5519000    
 O    5.624000      -2.015400      0.8300000    
 O   -4.484300     -0.4835000      0.4130000    
 C    3.918800      0.2677000     -0.8420000    
 C    3.410000      0.7015000      0.5529000    
 C    1.881700      0.6692000      0.7771000    
 C    1.204500     -0.6011000      0.2061000    
 C    5.418800     -3.1599998E-02 -0.5598000    
 C    3.194300      -1.010200      -1.322900    
 C    4.137400     -0.2566000       1.518700    
 C    5.474100     -0.6015000      0.8611000    
 C    1.672000     -0.9135000      -1.227100    
 C    1.187000       1.930300      0.2408000    
 C    3.773200       1.373700      -1.902500    
 C  -0.3144000     -0.5359000      0.2708000    
 C  -0.2679000       1.973200      0.7003000    
 C  -0.9994000      0.6769000      0.4701000    
 C   -1.057600      -1.720400      0.1201000    
 C   -2.403000      0.6790000      0.5216000    
 C   -2.451400      -1.703400      0.1629000    
 C   -3.124300     -0.5031000      0.3628000    
 C   -5.157000      0.3114000     -0.5555000    
 C   -6.049500       1.320600      0.1502000    
 C   -6.149100     -0.5348000      -1.339100    
 C   -7.294700      0.5249000      0.5393000    
 C   -7.341200     -0.6827000     -0.3970000    
 H    3.769500       1.715700      0.7765000    
 H    1.718300      0.6719000       1.866000    
 H    1.506200      -1.441800      0.8463000    
 H    5.849400     -0.7039000      -1.309100    
 H    3.513400      -1.882200     -0.7400000    
 H    3.476800      -1.229100      -2.360600    
 H    4.297200      0.2392000       2.483300    
 H    3.557500      -1.162900       1.723700    
 H    6.305700     -0.1925000       1.445800    
 H    1.290500     -0.1645000      -1.930600    
 H    1.250200      -1.870300      -1.560200    
 H    1.209100       1.959300     -0.8517000    
 H    1.698300       2.833300      0.5944000    
 H    4.111500       2.344600      -1.524800    
 H    4.373700       1.134800      -2.788100    
 H    2.745400       1.500500      -2.246800    
 H  -0.7778000       2.788600      0.1732000    
 H  -0.3041000       2.200200       1.773200    
 H    5.864200       1.752100      0.1468000    
 H    6.467000      -2.209100      0.3859000    
 H  -0.5492000      -2.669900     -3.0800000E-02
 H   -2.928600       1.614600      0.7005000    
 H   -3.004800      -2.630600      4.2500000E-02
 H   -4.456300      0.8067000      -1.239000    
 H   -6.332900       2.121300     -0.5432000    
 H   -5.578800       1.772200       1.028900    
 H   -5.745800      -1.511500      -1.623600    
 H   -6.463500     -6.3000000E-03  -2.246800    
 H   -8.197400       1.138700      0.4556000    
 H   -7.224400      0.1866000       1.579500    
 H   -7.252900      -1.606800      0.1862000    
 H   -8.284000     -0.7344000     -0.9507000    


%chk=000014431-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014431

0 1
O 6.384696 1.099441 -0.091797
O 5.251395 -2.080562 1.417404
O -4.555862 -0.696352 -0.731596
C 4.057707 0.254326 -0.676737
C 3.303394 0.768774 0.604881
C 1.748670 0.766501 0.551977
C 1.181096 -0.569856 -0.007051
C 5.480393 -0.069776 -0.116820
C 3.406801 -1.074316 -1.174189
C 3.858373 -0.116122 1.764464
C 5.262313 -0.603372 1.335905
C 1.876426 -0.961054 -1.345567
C 1.135396 1.968647 -0.208524
C 4.133256 1.279308 -1.834149
C -0.340648 -0.527999 -0.162266
C -0.386765 2.031701 0.035782
C -1.076361 0.686567 -0.181053
C -1.054081 -1.747566 -0.317006
C -2.484820 0.662201 -0.361761
C -2.446546 -1.780204 -0.492245
C -3.172710 -0.562515 -0.521361
C -5.406879 0.521400 -0.720657
C -5.660582 1.011948 0.724560
C -6.794912 0.066392 -1.200505
C -6.753428 0.053121 1.289246
C -7.444096 -0.603795 0.044005
H 3.618239 1.822621 0.786211
H 1.398706 0.859752 1.604831
H 1.423454 -1.377854 0.715711
H 6.018199 -0.799108 -0.748487
H 3.629363 -1.887360 -0.455972
H 3.876128 -1.360587 -2.136904
H 3.876274 0.429936 2.723655
H 3.230501 -1.012993 1.911136
H 6.075988 -0.201333 1.973435
H 1.617551 -0.223489 -2.129859
H 1.470754 -1.930012 -1.694375
H 1.332825 1.887534 -1.293501
H 1.606731 2.911125 0.133858
H 4.373491 2.298014 -1.478212
H 4.922579 0.988525 -2.550967
H 3.179447 1.339335 -2.385465
H -0.850384 2.799649 -0.613555
H -0.568118 2.360828 1.081258
H 5.895169 1.874765 0.284631
H 6.157308 -2.419212 1.200611
H -0.499732 -2.694515 -0.291615
H -3.025379 1.614876 -0.370213
H -2.990632 -2.722061 -0.610870
H -4.949764 1.286056 -1.379054
H -6.036153 2.053029 0.679879
H -4.740913 1.016729 1.333981
H -6.719600 -0.609119 -2.069228
H -7.368404 0.961117 -1.509827
H -7.475326 0.601768 1.920071
H -6.291336 -0.724204 1.921913
H -7.246006 -1.689248 0.029920
H -8.539988 -0.467102 0.054364


