%chk=000009896.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009896

0 1
 O   -3.584300      -1.771800      0.6128000    
 C   -1.666600     -0.7399000     -0.5298000    
 C  -0.9940000      0.6420000     -0.3614000    
 C   0.5128000      0.6556000     -0.6891000    
 C    1.308100     -0.4556000      3.7599999E-02
 C   -3.025900     -0.5242000      0.2095000    
 C  -0.8204000      -1.848000      0.1557000    
 C   -1.366700       1.074700       1.068400    
 C   0.6601000      -1.825600     -0.2257000    
 C   -2.635300      0.3040000       1.445700    
 C    2.812900     -0.4342000     -0.3730000    
 C    1.137200       2.034100     -0.4189000    
 C   -1.852000      -1.104600      -2.014100    
 C    2.592300       2.075600     -0.8719000    
 C    3.394900      0.9664000     -0.2458000    
 C   -4.101800      0.2127000     -0.6012000    
 C    3.617200      -1.482100      0.4309000    
 C    5.119200      -1.233300      0.3639000    
 C    4.569000       1.215900      0.3600000    
 C    5.463300      0.1487000      0.9099000    
 C   -5.327500      0.4388000      0.2219000    
 C   -5.812500       1.650700      0.5147000    
 H   -1.473000       1.356400      -1.046400    
 H   0.6021000      0.4684000      -1.769500    
 H    1.257800     -0.2658000       1.119100    
 H   -1.231700      -2.836400     -8.6599998E-02
 H  -0.8803000      -1.760700       1.247400    
 H   -1.542900       2.155700       1.105100    
 H  -0.5782000      0.8537000       1.794600    
 H    1.163900      -2.602300      0.3604000    
 H   0.7847000      -2.104600      -1.278300    
 H   -2.421900     -0.3563000       2.296200    
 H   -3.402500      0.9928000       1.807600    
 H    2.884900     -0.7064000      -1.436100    
 H    1.084300       2.278000      0.6494000    
 H   0.5745000       2.809700     -0.9522000    
 H   -2.446200      -2.018200      -2.123300    
 H   -2.354700     -0.3071000      -2.571100    
 H  -0.8956000      -1.273200      -2.518100    
 H    3.012800       3.059800     -0.6333000    
 H    2.639600       1.969800      -1.963100    
 H   -4.412600     -0.3940000      -1.460600    
 H   -3.723900       1.162200     -0.9965000    
 H    3.410600      -2.486500      4.3499999E-02
 H    3.303100      -1.475500       1.482900    
 H   -3.769100      -2.290800     -0.1883000    
 H    5.458200      -1.318400     -0.6765000    
 H    5.653400      -1.999800      0.9366000    
 H    4.930800       2.237800      0.4397000    
 H    6.504100      0.3810000      0.6573000    
 H    5.387500      0.1544000       2.003500    
 H   -5.869300     -0.4319000      0.5819000    
 H   -6.715000       1.752400       1.107500    
 H   -5.322700       2.556200      0.1741000    


%chk=000009896-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000009896

0 1
O -3.612227 -1.831975 0.730975
C -1.678944 -0.733230 -0.527547
C -0.987965 0.654637 -0.313893
C 0.521952 0.678149 -0.674463
C 1.326643 -0.446461 0.033973
C -3.033652 -0.543986 0.270839
C -0.825687 -1.850252 0.152542
C -1.337540 1.049132 1.159206
C 0.667091 -1.819340 -0.248740
C -2.613692 0.238422 1.542765
C 2.837807 -0.429550 -0.382869
C 1.148850 2.066532 -0.411179
C -1.880972 -1.074473 -2.022059
C 2.626724 2.098172 -0.868785
C 3.436728 0.973109 -0.243414
C -4.125509 0.207002 -0.553149
C 3.652203 -1.489522 0.408059
C 5.174640 -1.251491 0.317046
C 4.629640 1.210424 0.370016
C 5.539724 0.125110 0.916229
C -5.376611 0.507770 0.245465
C -6.025199 1.699485 0.260490
H -1.482112 1.387980 -0.987688
H 0.602464 0.487344 -1.770107
H 1.290751 -0.262467 1.130891
H -1.258368 -2.840135 -0.089250
H -0.899920 -1.752493 1.251715
H -1.505060 2.137366 1.245502
H -0.504681 0.803807 1.843372
H 1.192840 -2.618377 0.307125
H 0.787795 -2.059441 -1.326382
H -2.405867 -0.492586 2.343208
H -3.433162 0.884943 1.898828
H 2.866425 -0.698004 -1.466138
H 1.095298 2.300817 0.670409
H 0.569754 2.848505 -0.943319
H -2.500217 -1.985590 -2.151308
H -2.367008 -0.251472 -2.576412
H -0.913596 -1.273879 -2.516083
H 3.088099 3.076976 -0.637933
H 2.645872 1.986395 -1.975619
H -4.401559 -0.428974 -1.422165
H -3.713458 1.146621 -0.967957
H 3.407043 -2.503994 0.042434
H 3.347707 -1.450569 1.475243
H -3.850640 -2.368995 -0.068723
H 5.488880 -1.280419 -0.745620
H 5.721599 -2.059035 0.840867
H 4.982850 2.249520 0.452157
H 6.595372 0.376990 0.690929
H 5.467972 0.084391 2.024770
H -5.765044 -0.332455 0.839660
H -6.939269 1.847794 0.846644
H -5.662061 2.562072 -0.313556


