%chk=000250791.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250791

0 1
O -4.052740 0.736698 -1.396771
O 6.649992 0.079789 1.019112
C -1.660263 0.501881 -0.758704
C -0.968213 -0.779648 -0.194825
C 0.510086 -0.830727 -0.605551
C 1.222375 0.402280 0.017853
C -3.167570 0.207995 -0.390393
C -0.986387 1.718705 -0.101813
C -1.896504 -1.925604 -0.632271
C 0.524796 1.717494 -0.397190
C -3.315945 -1.330357 -0.527855
C 2.722781 0.432557 -0.378602
C 1.192099 -2.116851 -0.117893
C -1.558773 0.617573 -2.287986
C -3.582598 0.766141 0.985088
C 2.659964 -2.143985 -0.550763
C 3.413250 -0.900332 -0.166886
C 3.443766 1.556524 0.399063
C 4.954435 1.532398 0.180102
C 4.687828 -0.989846 0.252523
C -4.916790 0.257471 1.476996
C 5.537431 0.179165 0.545312
C -6.114608 0.737879 0.723329
C -5.008382 -0.556972 2.532380
H -1.005500 -0.733353 0.924326
H 0.587600 -0.778093 -1.718765
H 1.160014 0.309608 1.130239
H -1.143673 1.712371 0.993220
H -1.435692 2.658802 -0.468772
H -1.782890 -2.813847 0.008247
H -1.677249 -2.251231 -1.663075
H 0.690313 1.905212 -1.475679
H 0.993127 2.569894 0.131979
H -3.920738 -1.557875 -1.426005
H -3.868852 -1.759014 0.324996
H 2.797461 0.653109 -1.476178
H 0.668060 -3.004652 -0.520517
H 1.120978 -2.199362 0.984158
H -2.203439 -0.117836 -2.788547
H -1.877934 1.603481 -2.638600
H -0.534832 0.451081 -2.640606
H -3.616113 1.873292 0.941059
H -2.791630 0.521637 1.725140
H 2.727940 -2.263571 -1.654966
H 3.150057 -3.048361 -0.132243
H 3.227940 1.457515 1.482671
H 3.040022 2.542338 0.096822
H -3.988808 1.707083 -1.447353
H 5.450865 2.326770 0.773398
H 5.210532 1.754072 -0.875665
H 5.186341 -1.948679 0.402435
H -7.036053 0.221389 1.017390
H -6.279457 1.811774 0.872291
H -5.978810 0.574763 -0.362346
H -4.161092 -0.917435 3.091000
H -5.945318 -0.925109 2.918291


%chk=000250791-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250791

0 1
O -4.157967 0.943348 -1.380873
O 6.615047 0.087747 1.412644
C -1.688612 0.533915 -0.868647
C -1.002439 -0.752761 -0.310505
C 0.501790 -0.833991 -0.639448
C 1.223838 0.424629 -0.062658
C -3.203220 0.256988 -0.474582
C -0.991470 1.766480 -0.240173
C -1.935329 -1.901909 -0.771197
C 0.539980 1.748629 -0.505507
C -3.368094 -1.274559 -0.740125
C 2.755563 0.427815 -0.406313
C 1.155330 -2.115397 -0.078691
C -1.604002 0.620882 -2.418683
C -3.527380 0.671034 0.999931
C 2.660165 -2.167232 -0.435277
C 3.408591 -0.907063 -0.042240
C 3.484116 1.623442 0.263452
C 5.021144 1.505997 0.202333
C 4.634593 -0.982385 0.569892
C -4.847484 0.163955 1.571747
C 5.505252 0.187259 0.804277
C -6.133432 0.701287 0.970886
C -4.859519 -0.725921 2.602165
H -1.068671 -0.699021 0.800560
H 0.633351 -0.846222 -1.743852
H 1.139668 0.356237 1.046958
H -1.150317 1.776183 0.856172
H -1.416427 2.712184 -0.636751
H -1.860584 -2.788535 -0.117121
H -1.667336 -2.229565 -1.793756
H 0.742161 1.920591 -1.582303
H 0.994337 2.599796 0.035000
H -3.893908 -1.401272 -1.702117
H -3.998290 -1.735286 0.039370
H 2.832158 0.539955 -1.514308
H 0.652847 -3.013214 -0.485313
H 1.029207 -2.142109 1.023317
H -2.125139 -0.218488 -2.907998
H -2.088961 1.545992 -2.775810
H -0.559489 0.627352 -2.771652
H -3.513975 1.782763 1.045805
H -2.708731 0.319703 1.654431
H 2.743225 -2.285041 -1.538421
H 3.145290 -3.052989 0.014170
H 3.168835 1.677211 1.325658
H 3.172842 2.569704 -0.213906
H -4.153242 1.911916 -1.165636
H 5.518155 2.341364 0.726047
H 5.360851 1.536711 -0.854390
H 5.052730 -1.954600 0.862600
H -7.020377 0.304828 1.494686
H -6.164194 1.808094 1.030904
H -6.198649 0.442795 -0.101632
H -3.932400 -1.113348 3.042959
H -5.798225 -1.089878 3.036520


