%chk=000253009.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253009

0 1
O -0.596058 0.844854 0.878073
O -3.061140 1.541121 2.202070
O -5.224831 0.066728 1.777915
O -5.096048 -2.368602 0.189611
O -2.754853 -2.899711 -1.083732
O -0.337711 -2.418898 -1.458854
O 5.325266 2.773440 -2.252066
O 6.111309 -0.093832 1.282080
C -1.601751 -1.030529 -0.064282
C -1.749192 0.135896 0.744802
C -2.980982 0.464225 1.329610
C -2.762931 -1.828635 -0.288063
C -4.120542 -0.372542 1.125744
C -4.012805 -1.509242 0.307596
C -0.346404 -1.455554 -0.674110
C 3.191217 0.017292 -0.995037
C 0.933705 -0.780006 -0.360985
C 1.904033 -0.655546 -1.273153
C 3.995012 -0.425350 0.062107
C 3.584009 1.084316 -1.814610
C 4.810977 1.713639 -1.546205
C 5.219008 0.227643 0.289705
C 5.649135 1.304332 -0.498653
C -0.564860 2.035570 1.715814
C -3.933044 2.610718 1.736937
C -6.445679 -0.726552 1.706764
C -5.595978 -2.506822 -1.171132
C 4.563644 3.279655 -3.376101
C 5.792561 -1.208287 2.152385
H 1.034529 -0.392024 0.660231
H 1.790478 -1.046298 -2.292562
H 3.672832 -1.257626 0.676146
H 2.946929 1.409975 -2.626914
H 6.597022 1.799773 -0.308417
H -1.790367 -3.087146 -1.511883
H 0.504770 2.277020 1.704219
H -1.167628 2.822273 1.255608
H -0.926706 1.801814 2.724587
H -3.620040 2.964558 0.753665
H -3.790287 3.371344 2.510928
H -4.969875 2.254738 1.722189
H -7.083196 -0.206453 2.430305
H -6.849025 -0.688398 0.691899
H -6.243919 -1.762740 2.007056
H -4.836067 -2.998210 -1.791468
H -5.876158 -1.535055 -1.578894
H -6.463846 -3.157696 -1.026311
H 5.208736 4.093161 -3.733567
H 3.597359 3.663973 -3.037703
H 4.451721 2.503786 -4.138927
H 5.712795 -2.132469 1.572518
H 4.879804 -0.999445 2.717329
H 6.669170 -1.232177 2.813135


%chk=000253009-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253009

0 1
O -0.714952 0.643937 1.566080
O -2.990238 0.099837 3.163783
O -5.294874 -0.939188 2.003287
O -5.342518 -1.692860 -0.734227
O -3.010329 -1.349656 -2.263884
O -0.714972 -0.650162 -2.495102
O 6.497147 0.883032 -3.065916
O 5.536334 1.221920 1.564131
C -1.787339 -0.377328 -0.364526
C -1.862477 0.061885 1.009875
C -3.032738 -0.152778 1.776241
C -2.986505 -0.950773 -0.954496
C -4.182007 -0.763096 1.175761
C -4.179804 -1.114277 -0.193760
C -0.589699 -0.313226 -1.226453
C 3.203666 0.429385 -1.284503
C 0.749588 0.050892 -0.743688
C 1.810468 0.110970 -1.614349
C 3.636877 0.670737 0.050506
C 4.139859 0.489995 -2.355011
C 5.496504 0.795577 -2.087844
C 4.995936 0.970753 0.294047
C 5.929370 1.037087 -0.766728
C -0.842534 1.764436 2.517680
C -3.988831 1.055786 3.695341
C -5.909793 -2.290287 2.047231
C -5.900115 -1.048328 -1.947343
C 6.110368 0.637948 -4.458018
C 4.630275 1.152167 2.712730
H 0.847600 0.261735 0.320631
H 1.591307 -0.103236 -2.670098
H 2.917982 0.610757 0.870980
H 3.789546 0.298456 -3.373670
H 6.977405 1.269459 -0.563003
H -2.024915 -1.111140 -2.644403
H 0.126683 2.287565 2.464508
H -1.651979 2.451795 2.208204
H -1.034674 1.389625 3.533943
H -3.844302 2.058551 3.245053
H -3.797057 1.099130 4.778691
H -5.009863 0.693893 3.496622
H -6.763152 -2.187494 2.734241
H -6.240050 -2.595343 1.042508
H -5.179196 -3.013559 2.453751
H -5.187139 -1.129562 -2.782643
H -6.137829 0.012934 -1.741481
H -6.823985 -1.606511 -2.163409
H 7.037178 0.759514 -5.037335
H 5.356429 1.372210 -4.802363
H 5.718468 -0.388811 -4.592987
H 4.189295 0.141968 2.818178
H 3.820679 1.904153 2.633682
H 5.259000 1.375528 3.586955


