%chk=000086584.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086584

0 1
 O   -4.682000      -1.068700      7.6099999E-02
 O    6.032100      7.5499997E-02  0.1520000    
 C   -2.502300     -6.3600004E-02  0.5571000    
 C   -1.853800     -0.9177000     -0.5664000    
 C  -0.3111000     -0.9899000     -0.6013000    
 C   -3.938600      0.1549000     -2.2299999E-02
 C   -2.421800     -0.3215000      -1.874600    
 C   -1.737000       1.267500      0.7505000    
 C   0.3695000      0.3750000     -0.3469000    
 C   -3.702700      0.4328000      -1.511100    
 C  -0.2247000       1.092700      0.8768000    
 C   0.2459000      -2.050300      0.3618000    
 C   -2.565200     -0.8218000       1.897900    
 C   -4.767200       1.250300      0.6449000    
 C    1.880800      0.2599000     -0.2148000    
 C    1.738200      -2.260100      0.1179000    
 C    2.513500     -0.9713000      3.7200000E-02
 C   -6.143300       1.362600      1.7600000E-02
 C    2.668700       1.418000     -0.3385000    
 C    3.912300      -1.019500      0.1526000    
 C    4.056200       1.358100     -0.2123000    
 C    4.678000      0.1391000      3.4499999E-02
 C    6.754600       1.298100      1.1300000E-02
 H   -2.240600      -1.945300     -0.5034000    
 H  -2.8200001E-02  -1.321100      -1.612500    
 H   -2.631000      -1.122300      -2.593400    
 H   -1.720900      0.3642000      -2.362300    
 H   -2.106900       1.785700       1.644300    
 H   -1.922300       1.947100     -9.0000004E-02
 H   0.1779000       1.000900      -1.229900    
 H   -3.556400       1.501500      -1.706900    
 H   -4.532100      8.6300001E-02  -2.137800    
 H   0.2233000       2.089100      0.9830000    
 H   2.4499999E-02  0.5596000       1.801200    
 H  -0.2737000      -3.006200      0.2266000    
 H   9.8800004E-02  -1.754100       1.403900    
 H   -3.229600     -0.3156000       2.606200    
 H   -2.929100      -1.847200       1.772600    
 H   -1.590500     -0.8890000       2.385300    
 H   -4.270000       2.223800      0.5755000    
 H   -4.900700       1.030300       1.710300    
 H    1.879100      -2.802500     -0.8254000    
 H    2.139900      -2.887900      0.9223000    
 H   -4.966800      -1.181900      0.9986000    
 H   -6.090500       1.645500      -1.038000    
 H   -6.711800      0.4311000      9.9200003E-02
 H   -6.719700       2.139600      0.5315000    
 H    2.199700       2.379200     -0.5365000    
 H    4.408000      -1.971300      0.3319000    
 H    4.587300       2.297600     -0.3197000    
 H    7.816800       1.061700      0.1331000    
 H    6.493500       2.012600      0.7993000    
 H    6.634500       1.723300     -0.9910000    


%chk=000086584-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086584

0 1
O -4.744797 -1.141421 0.043652
O 6.106536 0.040092 0.198849
C -2.532684 -0.074509 0.546278
C -1.866662 -0.916162 -0.600292
C -0.314178 -1.004483 -0.601150
C -3.991650 0.147877 -0.030888
C -2.433501 -0.301619 -1.919745
C -1.782828 1.284707 0.704934
C 0.359748 0.380146 -0.377413
C -3.786334 0.374831 -1.549844
C -0.255131 1.108858 0.853206
C 0.264947 -2.048898 0.386238
C -2.577495 -0.811202 1.908943
C -4.816969 1.250396 0.674808
C 1.882881 0.274938 -0.255032
C 1.766556 -2.268967 0.111419
C 2.545558 -0.959711 0.015189
C -6.233681 1.434002 0.086738
C 2.671086 1.443015 -0.387837
C 3.950392 -0.980490 0.159592
C 4.075953 1.429830 -0.251913
C 4.717861 0.198987 0.030936
C 6.937669 1.238123 0.081088
H -2.268500 -1.945937 -0.516222
H -0.021532 -1.352986 -1.617361
H -2.562078 -1.086285 -2.685982
H -1.728669 0.441386 -2.338833
H -2.180680 1.829839 1.583508
H -1.974816 1.925081 -0.180639
H 0.136563 1.018796 -1.259144
H -3.770201 1.456945 -1.774831
H -4.639148 -0.062577 -2.094938
H 0.222728 2.101491 0.964335
H -0.010658 0.550843 1.778221
H -0.279171 -3.007199 0.275824
H 0.125264 -1.719980 1.433054
H -3.306343 -0.338050 2.597175
H -2.847725 -1.875991 1.786859
H -1.600332 -0.783045 2.419051
H -4.269675 2.210175 0.615100
H -4.901467 1.006886 1.755803
H 1.877563 -2.818119 -0.847561
H 2.215917 -2.915034 0.889936
H -4.896967 -1.353703 1.000604
H -6.190699 1.787612 -0.959522
H -6.787233 0.478939 0.093270
H -6.808230 2.176846 0.670087
H 2.173231 2.395949 -0.610384
H 4.474638 -1.919293 0.371443
H 4.643469 2.358221 -0.366408
H 7.967921 0.892514 0.252951
H 6.666610 1.995209 0.843312
H 6.859544 1.687931 -0.928464


