%chk=000289391.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289391

0 1
O 0.084723 1.321258 0.629922
O 2.931046 0.757452 -1.027171
O 8.687353 -1.607608 -1.534867
O 9.142384 -0.387008 0.279579
C -5.557227 0.477788 0.650837
C -5.668642 -1.961920 -0.498260
C -6.032814 -0.450549 -0.500532
C -4.040853 0.677657 0.628724
C -6.186029 1.877377 0.416374
C -6.065269 -0.035647 2.007949
C -5.971737 -2.500873 -1.919541
C -6.538796 -2.747978 0.502715
C -4.186020 -2.214287 -0.188591
C -3.254530 0.583774 1.791530
C -3.408184 1.010944 -0.579076
C -1.880216 0.802100 1.754685
C -2.029933 1.237264 -0.650853
C -1.280971 1.127226 0.524221
C 0.820394 1.651376 -0.582152
C 2.268300 1.674547 -0.099149
C 4.248207 0.454308 -0.818516
C 5.044538 0.964548 0.219193
C 4.759070 -0.447547 -1.780619
C 6.376961 0.561650 0.291234
C 6.086392 -0.834937 -1.690658
C 6.904545 -0.332608 -0.656013
C 8.313455 -0.724310 -0.537764
H -7.137479 -0.376103 -0.556181
H -5.667476 -0.016170 -1.453611
H -7.277764 1.841632 0.474334
H -5.920780 2.287778 -0.562026
H -5.840527 2.592007 1.171220
H -5.653680 -1.027318 2.242262
H -7.156707 -0.136572 2.002196
H -5.810033 0.645077 2.826089
H -5.772251 -3.575071 -1.984987
H -7.018998 -2.347873 -2.194331
H -5.351740 -2.012228 -2.676433
H -6.284498 -2.492906 1.539076
H -6.393333 -3.827180 0.392001
H -7.603539 -2.543551 0.362296
H -3.925878 -1.907228 0.830035
H -3.531058 -1.658596 -0.867923
H -3.932853 -3.274811 -0.282535
H -3.713769 0.336603 2.749545
H -3.999838 1.092370 -1.493157
H -1.267218 0.726622 2.649153
H -1.574601 1.489026 -1.601355
H 0.661651 0.861116 -1.343680
H 0.470149 2.628450 -0.953907
H 2.745732 2.663543 -0.187896
H 2.353416 1.282348 0.934535
H 4.648170 1.653410 0.957916
H 4.104207 -0.819824 -2.566082
H 7.024194 0.941167 1.089537
H 6.513678 -1.532726 -2.418714
H 9.641777 -1.874590 -1.455277


%chk=000289391-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289391

0 1
O 0.202388 0.424446 0.831824
O 3.306217 0.432697 -1.085355
O 9.625108 0.314019 -1.983274
O 9.662272 0.207415 0.336978
C -5.600760 0.677669 0.441557
C -6.296349 -1.907533 -0.264572
C -6.210267 -0.367475 -0.566069
C -4.057481 0.570457 0.537521
C -5.929037 2.092125 -0.145238
C -6.279316 0.602890 1.832982
C -6.556916 -2.602896 -1.634385
C -7.494088 -2.253995 0.665634
C -4.990413 -2.489329 0.336779
C -3.368981 0.497443 1.778249
C -3.259775 0.602726 -0.635558
C -1.962666 0.449894 1.848251
C -1.849205 0.554433 -0.592270
C -1.197019 0.476659 0.661417
C 1.028544 0.458575 -0.378319
C 2.469265 0.398789 0.125694
C 4.694097 0.390185 -0.925788
C 5.350879 0.316080 0.331002
C 5.444907 0.426517 -2.130064
C 6.756974 0.278895 0.368814
C 6.845930 0.388884 -2.079725
C 7.517243 0.314647 -0.827443
C 8.993134 0.272680 -0.725082
H -7.244364 -0.027253 -0.788883
H -5.651971 -0.255812 -1.517844
H -7.023260 2.254760 -0.174966
H -5.540191 2.205186 -1.173697
H -5.475678 2.885577 0.476658
H -6.022653 -0.317927 2.384737
H -7.377441 0.631238 1.715899
H -5.988343 1.466887 2.459749
H -6.708736 -3.690662 -1.500086
H -7.460546 -2.191953 -2.124721
H -5.701368 -2.460528 -2.321675
H -7.369303 -1.849472 1.683386
H -7.599168 -3.352498 0.753849
H -8.442193 -1.857151 0.254226
H -4.782015 -2.084616 1.342524
H -4.115214 -2.262354 -0.298333
H -5.075148 -3.589750 0.425295
H -3.931323 0.475149 2.716332
H -3.739165 0.667915 -1.619138
H -1.444020 0.391626 2.810446
H -1.282506 0.580128 -1.528260
H 0.810002 -0.409567 -1.031040
H 0.856585 1.392667 -0.948777
H 2.689426 1.268102 0.774608
H 2.643976 -0.535696 0.692677
H 4.784774 0.287260 1.266104
H 4.908066 0.483887 -3.081427
H 7.288110 0.221457 1.324644
H 7.435386 0.416197 -3.000000
H 10.608696 0.282705 -1.840547


