%chk=000082061.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082061

0 1
 O   -4.531600      -2.148900      6.7599997E-02
 O   -5.741500      5.5900000E-02  -1.116200    
 C    3.042000     -6.3000001E-02 -0.1807000    
 C    1.897000      0.2782000      0.7779000    
 C    4.428300      6.9100000E-02  0.4533000    
 C   0.4893000      0.2454000      0.1748000    
 C    5.533400     -0.1954000     -0.5718000    
 C  -0.6153000      0.5385000       1.193100    
 C    6.919100     -9.6400000E-02  6.6100001E-02
 C   -1.985500      0.4061000      0.5775000    
 C    8.018600     -0.3924000     -0.9414000    
 C   -2.629800     -0.8213000      0.6077000    
 C   -2.577900       1.513900     -9.4999997E-03
 C   -3.896900     -0.9438000      3.7500001E-02
 C   -3.844800       1.391500     -0.5798000    
 C   -4.504300      0.1626000     -0.5562000    
 H    2.905600      -1.085600     -0.5531000    
 H    2.979500      0.6014000      -1.051600    
 H    2.071600       1.278900       1.193500    
 H    1.935100     -0.4184000       1.625200    
 H    4.548600       1.077200      0.8682000    
 H    4.516100     -0.6371000       1.287600    
 H   0.4354000      0.9691000     -0.6485000    
 H   0.3243000     -0.7433000     -0.2726000    
 H    5.454300      0.5258000      -1.394300    
 H    5.399600      -1.194500      -1.004200    
 H  -0.5305000     -0.1450000       2.047700    
 H  -0.4881000       1.547700       1.605100    
 H    7.068000      0.9084000      0.4783000    
 H    6.997100     -0.8041000      0.8997000    
 H    7.988400      0.3169000      -1.774600    
 H    9.000600     -0.3148000     -0.4644000    
 H    7.917100      -1.404000      -1.347100    
 H   -2.152300      -1.681500       1.069600    
 H   -2.071300       2.474500     -3.4499999E-02
 H   -4.312500       2.257000      -1.041300    
 H   -3.961700      -2.796200      0.5172000    
 H   -6.047300     -0.8617000      -1.009600    


%chk=000082061-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000082061

0 1
O -4.674391 -2.168565 -0.077050
O -5.863113 0.019398 -1.127708
C 3.053777 0.008990 -0.190244
C 1.925533 0.347084 0.810236
C 4.467460 0.127947 0.423107
C 0.511435 0.222312 0.201518
C 5.599456 -0.220420 -0.569507
C -0.614019 0.557498 1.220018
C 7.011239 -0.105504 0.049888
C -2.010564 0.424916 0.630809
C 8.137751 -0.463565 -0.943426
C -2.659796 -0.838469 0.594631
C -2.680072 1.540736 0.067843
C -3.932080 -0.964102 0.010146
C -3.959909 1.414224 -0.520647
C -4.593314 0.158817 -0.553125
H 2.906683 -1.022313 -0.574173
H 2.977531 0.680966 -1.070462
H 2.070799 1.379632 1.192093
H 2.005791 -0.322914 1.692488
H 4.616798 1.161203 0.801176
H 4.539470 -0.539065 1.308011
H 0.418755 0.895928 -0.674071
H 0.359657 -0.807219 -0.182236
H 5.532650 0.447617 -1.453804
H 5.450619 -1.253118 -0.949419
H -0.502668 -0.111500 2.097157
H -0.459585 1.590534 1.588933
H 7.160965 0.927694 0.424950
H 7.073592 -0.769235 0.936682
H 8.117041 0.205451 -1.824584
H 9.135582 -0.374854 -0.475460
H 8.027264 -1.501843 -1.309802
H -2.164455 -1.717764 1.029538
H -2.197217 2.524526 0.092081
H -4.479708 2.275044 -0.951586
H -4.189449 -2.928300 0.324162
H -6.141808 -0.931066 -1.051963


