%chk=000259697.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259697

0 1
O -5.162286 -0.895510 0.447407
O 4.704018 -0.071119 -1.284971
C -0.657444 0.911735 0.212085
C 0.180477 -0.379853 -0.026278
C -2.031816 0.707495 -0.442089
C -2.792848 -0.487685 0.214955
C 1.605269 -0.242170 0.606651
C 2.287460 1.005300 -0.038479
C -4.198128 -0.349327 -0.474127
C -0.563009 -1.635841 0.478996
C -1.992175 -1.767329 -0.078322
C 0.058790 2.142351 -0.372942
C -3.047063 1.864260 -0.409848
C 1.472877 2.287340 0.200464
C -4.421420 1.187921 -0.606918
C 2.458883 -1.481314 0.221337
C 3.738316 1.180632 0.443407
C -2.988739 -0.333494 1.731073
C 1.514317 -0.122243 2.136540
C 3.918685 -1.360268 0.670433
C 4.581647 -0.071055 0.163255
C -4.347996 -1.073944 -1.810712
C 5.705400 -0.958628 -1.805957
H -0.782879 1.065026 1.310460
H 0.316943 -0.492624 -1.130358
H -1.853405 0.455194 -1.519075
H 2.335562 0.822458 -1.144847
H -0.605034 -1.623314 1.586607
H 0.013515 -2.540326 0.208041
H -1.950165 -1.965906 -1.164155
H -2.494678 -2.642167 0.373938
H -0.527777 3.054359 -0.156987
H 0.106912 2.067649 -1.475958
H -2.843174 2.606599 -1.196329
H -3.006857 2.405427 0.550365
H 1.980124 3.149599 -0.271285
H 1.425064 2.518114 1.280877
H -5.137720 1.522167 0.163031
H -4.859362 1.454824 -1.579266
H 2.436033 -1.610292 -0.879713
H 2.015461 -2.397142 0.652150
H 4.195962 2.044942 -0.077905
H 3.767718 1.410082 1.524095
H -2.038758 -0.367576 2.272351
H -3.488917 0.607321 1.982086
H -3.630851 -1.139714 2.113399
H 1.128731 -1.042448 2.586947
H 2.493216 0.078111 2.582774
H 0.845028 0.694047 2.432247
H 3.977902 -1.386579 1.775560
H 4.486603 -2.239712 0.312840
H 5.601818 0.034898 0.595090
H -3.560641 -0.784933 -2.516000
H -4.291876 -2.161023 -1.672633
H -5.307489 -0.855969 -2.289897
H -6.048700 -0.927423 0.049208
H 6.693641 -0.700456 -1.415002
H 5.655131 -0.770561 -2.885472
H 5.452401 -1.999904 -1.585744


%chk=000259697-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259697

0 1
O -5.247272 -1.114696 0.197823
O 4.630335 -0.129245 -1.456088
C -0.681244 0.929556 0.299553
C 0.177115 -0.369835 0.121350
C -2.058080 0.710921 -0.360965
C -2.845135 -0.501927 0.229104
C 1.633389 -0.220213 0.708662
C 2.291750 1.024858 0.007593
C -4.199639 -0.388440 -0.564354
C -0.583992 -1.630798 0.625318
C -1.999984 -1.778970 0.003433
C 0.040462 2.162923 -0.297866
C -3.089657 1.870334 -0.356589
C 1.480438 2.318767 0.235757
C -4.467965 1.162788 -0.589898
C 2.490237 -1.469069 0.323170
C 3.785981 1.200188 0.364602
C -3.152251 -0.333324 1.744364
C 1.600098 -0.074981 2.256004
C 3.991732 -1.317600 0.662387
C 4.610864 -0.053527 0.025187
C -4.160835 -0.979295 -1.990390
C 5.589703 -1.092379 -1.986017
H -0.835174 1.117285 1.382732
H 0.309161 -0.496569 -0.980655
H -1.843483 0.466486 -1.426452
H 2.260633 0.809186 -1.082902
H -0.667253 -1.606024 1.728443
H -0.000915 -2.538194 0.378342
H -1.883696 -1.961731 -1.083722
H -2.509850 -2.664513 0.431291
H -0.547757 3.078111 -0.088902
H 0.077864 2.052803 -1.403385
H -2.870550 2.622557 -1.134985
H -3.074873 2.397260 0.616686
H 1.983064 3.163048 -0.278334
H 1.461700 2.576648 1.314756
H -5.183625 1.409920 0.215245
H -4.926323 1.471255 -1.548448
H 2.389024 -1.640363 -0.768139
H 2.102070 -2.371653 0.832650
H 4.201364 2.056259 -0.200850
H 3.911348 1.431746 1.441298
H -2.228922 -0.278657 2.345202
H -3.741755 0.577035 1.949018
H -3.748763 -1.191075 2.095799
H 1.263558 -1.015982 2.729019
H 2.597319 0.157916 2.669592
H 0.916974 0.726059 2.587740
H 4.134061 -1.254447 1.759527
H 4.543354 -2.221007 0.335904
H 5.661213 0.069976 0.378430
H -3.366826 -0.523937 -2.609229
H -3.998425 -2.070403 -1.957083
H -5.123986 -0.790156 -2.505208
H -6.086632 -1.085369 -0.328043
H 6.611055 -0.910972 -1.585269
H 5.596908 -0.945942 -3.078500
H 5.304780 -2.142590 -1.766311


