%chk=000108467.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108467

0 1
 O    2.640700      -1.807200     -0.8617000    
 O    1.393800      0.1851000     -0.5496000    
 C    2.380300     -0.4839000      -1.348500    
 C    3.650200      0.3482000      -1.321600    
 C    4.359800      0.5670000     -3.5799999E-02
 C    1.657200      -2.750200      -1.268500    
 C   0.7661000       1.254600      -1.244900    
 C    5.339700     -0.3335000      0.3824000    
 C    4.046700       1.673300      0.7542000    
 C    4.140700      0.8748000      -2.457600    
 C   0.4642000      -2.614400     -0.3775000    
 C  -0.5318000       1.568300     -0.5723000    
 C    6.006300     -0.1275000       1.590200    
 C    4.713500       1.879200       1.961900    
 C    5.693100      0.9788000       2.379900    
 C  -0.7655000      -2.325700     -0.8313000    
 C   -1.722400       1.464700      -1.183200    
 C   -1.970800      -2.196800      4.6000001E-03
 C   -3.025300       1.747900     -0.5582000    
 C   -1.847900      -1.961200       1.374100    
 C   -3.146700       1.749400      0.8315000    
 C   -3.235600      -2.310100     -0.5727000    
 C   -4.138300       2.014800      -1.355800    
 C   -2.989500      -1.839300       2.166100    
 C   -4.380900       2.017300       1.423500    
 C   -4.377200      -2.188100      0.2194000    
 C   -5.372400       2.282800     -0.7635000    
 C   -4.254200      -1.952600       1.588800    
 C   -5.493700       2.284100      0.6261000    
 H    2.022900     -0.5736000      -2.383500    
 H    2.084200      -3.748700      -1.127000    
 H    1.422000      -2.649200      -2.334100    
 H   0.5927000      0.9919000      -2.295400    
 H    1.409800       2.139900      -1.215600    
 H    5.595200      -1.200300     -0.2222000    
 H    3.288200       2.386900      0.4431000    
 H    5.049700       1.468500      -2.462700    
 H    3.644400      0.7265000      -3.411100    
 H   0.6523000      -2.794100      0.6767000    
 H  -0.4488000       1.904100      0.4570000    
 H    6.769300     -0.8285000       1.915900    
 H    4.470200       2.740900       2.576600    
 H    6.212400       1.139200       3.320300    
 H  -0.9146000      -2.180500      -1.898900    
 H   -1.759600       1.147400      -2.222900    
 H  -0.8852000      -1.843000       1.862400    
 H   -2.313000       1.527500       1.491000    
 H   -3.350500      -2.492800      -1.638300    
 H   -4.062000       2.018400      -2.440300    
 H   -2.894600      -1.649200       3.231300    
 H   -4.477200       2.012500       2.505400    
 H   -5.362100      -2.274200     -0.2302000    
 H   -6.239100       2.490000      -1.384200    
 H   -5.143200      -1.854300       2.204800    
 H   -6.455000       2.491000       1.087100    


%chk=000108467-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108467

0 1
O 2.782992 -1.944346 -0.227980
O 1.334914 -0.103437 -0.217973
C 2.361858 -0.809437 -1.014434
C 3.564209 0.080083 -1.330683
C 4.242687 0.823883 -0.228397
C 1.907334 -3.145714 -0.377700
C 0.449327 0.747435 -1.051180
C 4.123280 0.403474 1.126213
C 5.023612 1.982634 -0.504421
C 3.932336 0.174008 -2.641386
C 0.442862 -2.875317 -0.153130
C -0.463971 1.498586 -0.125571
C 4.781997 1.103372 2.159386
C 5.683062 2.679910 0.528171
C 5.568484 2.241571 1.868666
C -0.515361 -3.192418 -1.072521
C -1.822944 1.400368 -0.170048
C -1.973500 -2.994318 -0.945992
C -2.799510 2.110371 0.680989
C -2.570510 -2.280764 0.134035
C -2.425150 3.051376 1.683650
C -2.829769 -3.525901 -1.952422
C -4.186348 1.843721 0.496813
C -3.968692 -2.117654 0.204758
C -3.401609 3.694871 2.469556
C -4.229902 -3.365391 -1.880942
C -5.165111 2.489676 1.281835
C -4.807462 -2.661130 -0.799234
C -4.777383 3.419142 2.273967
H 1.895976 -1.154524 -1.968313
H 2.317006 -3.830612 0.386139
H 2.074410 -3.588311 -1.382277
H -0.126555 0.108540 -1.755525
H 1.077170 1.451002 -1.641014
H 3.521209 -0.478893 1.355932
H 5.097925 2.357687 -1.531452
H 4.798120 0.757667 -2.969630
H 3.388872 -0.364668 -3.426163
H 0.185238 -2.405443 0.802906
H 0.041460 2.137899 0.610000
H 4.680917 0.758629 3.194733
H 6.275830 3.570659 0.290423
H 6.077229 2.784855 2.673086
H -0.187435 -3.665058 -2.012425
H -2.262267 0.716973 -0.912858
H -1.939572 -1.840196 0.913539
H -1.366886 3.282381 1.848453
H -2.388041 -4.075568 -2.793442
H -4.490732 1.122936 -0.272798
H -4.406291 -1.564381 1.043600
H -3.094053 4.415654 3.235794
H -4.868378 -3.788423 -2.664667
H -6.226610 2.270694 1.119855
H -5.894262 -2.536029 -0.738115
H -5.533514 3.923976 2.885394


