%chk=000188822.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188822

0 1
O -1.128135 1.909775 0.849773
O -3.017985 2.290160 2.098727
O -2.636845 -2.378523 -0.503225
O 1.601853 1.969717 1.641696
O 2.321650 -2.969800 0.127380
O -5.359260 -1.476626 -0.272376
O 3.864882 2.741227 0.632923
O 6.692454 -0.776975 -1.076698
C -3.133110 0.628724 0.283281
C -1.875813 -0.180856 0.188188
C -2.603716 2.006229 0.792568
C -3.866921 0.747897 -1.060152
C -0.755940 0.624609 0.536169
C 0.555430 0.155126 0.530669
C -1.664164 -1.508025 -0.161741
C 0.726019 -1.201102 0.142861
C -5.383243 0.845753 -0.885344
C -0.334212 -2.023495 -0.188028
C 1.712280 1.001296 0.925520
C 2.116320 -1.778330 0.095055
C 3.026362 0.555050 0.383654
C 3.241792 -0.778872 -0.011886
C -6.005770 -0.462021 -0.445690
C 4.106827 1.456352 0.268510
C 4.467101 -1.214415 -0.494376
C -7.487058 -0.438528 -0.226302
C 5.367460 1.060383 -0.221990
C 5.519901 -0.277174 -0.592252
H -3.813126 0.191487 1.057431
H -2.834670 2.905248 0.195387
H -3.624214 -0.132164 -1.696467
H -3.494856 1.619314 -1.634978
H -5.638827 1.645813 -0.156995
H -5.850965 1.172800 -1.838668
H -0.178955 -3.071688 -0.458766
H -2.507560 1.775125 2.768078
H -3.579559 -1.984475 -0.409942
H 4.632146 -2.255589 -0.780569
H -8.038589 -0.083762 -1.106789
H -7.766318 0.212912 0.614297
H -7.871086 -1.444826 0.012062
H 6.181055 1.768863 -0.301854
H 4.664207 3.324993 0.539905
H 7.410957 -0.094009 -1.121945


%chk=000188822-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188822

0 1
O -1.208681 2.078265 0.590739
O -2.961880 2.243432 2.240587
O -2.732002 -2.358468 -0.414535
O 1.514880 2.508569 0.519118
O 2.265467 -2.830054 -0.700038
O -5.323409 -1.554780 -0.193937
O 4.154480 2.832287 0.602636
O 6.924006 -1.084682 -0.368660
C -3.190500 0.662916 0.282865
C -1.895183 -0.096206 0.093878
C -2.692215 2.035483 0.843268
C -4.003809 0.794263 -1.044524
C -0.793641 0.771626 0.261988
C 0.551732 0.347446 0.104770
C -1.701666 -1.457409 -0.230976
C 0.718353 -1.042040 -0.223226
C -5.526168 0.799795 -0.818287
C -0.372131 -1.920987 -0.386149
C 1.706349 1.276623 0.267046
C 2.088185 -1.606670 -0.401088
C 3.078046 0.695357 0.114771
C 3.261252 -0.688736 -0.210713
C -6.069879 -0.540628 -0.325606
C 4.263887 1.481393 0.279592
C 4.537338 -1.264083 -0.368501
C -7.542898 -0.621098 0.022832
C 5.549576 0.904851 0.122540
C 5.682122 -0.462678 -0.200975
H -3.826073 0.189263 1.054094
H -3.121415 2.917576 0.345567
H -3.746222 -0.041170 -1.719689
H -3.700543 1.718399 -1.570159
H -5.833961 1.584600 -0.096035
H -6.063382 1.045341 -1.758180
H -0.181033 -2.967493 -0.636433
H -2.446570 1.594343 2.785958
H -3.661337 -1.970473 -0.317264
H 4.623571 -2.324054 -0.618422
H -8.158579 -0.017351 -0.666195
H -7.695850 -0.208738 1.040042
H -7.882447 -1.668240 0.023328
H 6.443178 1.531927 0.255692
H 5.054962 3.240799 0.688559
H 7.671889 -0.450920 -0.233179


