%chk=000253759.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253759

0 1
O -6.256861 1.833633 -2.194017
O -8.234109 2.013336 -0.893296
O 7.060877 1.847376 0.433185
O 5.197262 1.648498 2.655522
O 6.455720 0.504199 -1.865814
O -0.829458 -2.053992 0.992760
O -0.503694 -2.876980 -1.097937
C -6.232303 0.899280 -1.166488
C -7.421078 1.006832 -0.384551
C -5.481773 -0.863485 0.235096
C -5.248458 -0.019083 -0.885489
C -7.656304 0.192163 0.699689
C -6.652219 -0.757908 0.993940
C -7.520498 2.562439 -2.049052
C -4.477523 -1.877538 0.598637
C 5.907997 1.086805 0.337897
C 5.023764 1.061407 1.434762
C 5.523235 0.424899 -0.861396
C 3.440696 -0.256187 0.157529
C 3.781982 0.389961 1.343947
C 4.303873 -0.249584 -0.955820
C -3.165686 -1.624669 0.654716
C -2.157459 -2.659870 1.036532
C 2.195646 -0.939191 0.060790
C 8.291896 1.124495 0.152386
C 6.418022 2.396358 2.904266
C 6.142275 -0.132688 -3.132020
C -0.096094 -2.219371 -0.168528
C 1.142455 -1.523835 -0.034483
H -4.347055 -0.107607 -1.485845
H -8.559164 0.269454 1.298173
H -6.803774 -1.419176 1.846786
H -7.280736 3.611217 -1.830591
H -8.126102 2.366953 -2.943579
H -4.886324 -2.864798 0.829090
H 3.118283 0.392505 2.208731
H 4.005692 -0.758619 -1.867513
H -2.744799 -0.638695 0.437396
H -2.184299 -3.551729 0.378135
H -2.230507 -2.960231 2.100819
H 8.313912 0.825951 -0.903234
H 9.050815 1.885416 0.362664
H 8.386922 0.261226 0.813310
H 7.275742 1.718835 2.895387
H 6.536981 3.188257 2.154836
H 6.225312 2.803638 3.903505
H 5.247480 0.317735 -3.572323
H 6.035398 -1.212863 -2.998747
H 7.034242 0.108728 -3.724964


%chk=000253759-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253759

0 1
O -7.022819 2.421156 0.059813
O -7.937367 1.654502 -2.026505
O 7.282743 1.448441 0.074091
O 5.831281 1.702739 2.501852
O 6.151286 0.048349 -2.078839
O -0.916484 -1.755966 2.054364
O -0.782901 -2.715701 -0.086464
C -6.434767 1.185757 -0.313853
C -6.975566 0.737653 -1.541350
C -5.028235 -0.772324 -0.186268
C -5.471969 0.466407 0.384979
C -6.567399 -0.463930 -2.123043
C -5.584496 -1.209986 -1.422075
C -7.966395 2.765882 -1.035036
C -4.011010 -1.619044 0.459453
C 6.018146 0.855686 0.176777
C 5.288716 1.043563 1.388029
C 5.401810 0.132284 -0.894874
C 3.421793 -0.276881 0.497734
C 4.005571 0.479516 1.546413
C 4.125258 -0.439870 -0.731362
C -3.331327 -1.366794 1.616422
C -2.317631 -2.320412 2.182527
C 2.128798 -0.864942 0.654060
C 8.419577 0.580254 -0.314650
C 6.298651 3.094246 2.306311
C 5.534148 -0.630493 -3.224345
C -0.281499 -2.011250 0.829812
C 1.007656 -1.377248 0.778234
H -5.075588 0.837365 1.333145
H -6.985432 -0.810469 -3.071103
H -5.235425 -2.156182 -1.850304
H -8.985362 2.847693 -0.620463
H -7.625582 3.693381 -1.527503
H -3.772576 -2.553170 -0.069589
H 3.482051 0.624144 2.494642
H 3.650137 -1.004538 -1.537017
H -3.484497 -0.436016 2.178326
H -2.348332 -3.299018 1.673697
H -2.417166 -2.443447 3.273250
H 8.281127 0.194841 -1.336999
H 9.302718 1.234283 -0.259212
H 8.520592 -0.254295 0.403825
H 7.086293 3.139114 1.537176
H 5.447477 3.742913 2.022851
H 6.691422 3.400534 3.287527
H 4.589505 -0.134504 -3.517255
H 5.344019 -1.698552 -3.005008
H 6.269252 -0.542174 -4.037397


