%chk=000250792.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250792

0 1
O -4.296360 0.095190 -0.715839
O 6.539473 0.624521 0.827474
O -6.096635 1.412822 -0.789493
C -1.861365 0.019387 -0.326964
C -0.999656 -1.117161 0.310413
C 0.437579 -1.084875 -0.228478
C 1.067358 0.279354 0.182783
C -3.273606 -0.364269 0.234888
C 2.545113 0.383308 -0.321763
C -1.272181 1.367264 0.118952
C 0.205160 1.466561 -0.298967
C -1.842430 -2.389303 0.101445
C 3.336102 -0.817288 0.289864
C -3.307656 -1.911122 0.203404
C 1.264261 -2.258314 0.326762
C 2.726876 -2.168414 -0.120924
C -1.925704 -0.037144 -1.859347
C -3.662409 0.252151 1.600140
C 3.182932 1.686239 0.233985
C 2.603000 0.386300 -1.856138
C 4.827551 -0.764862 -0.075811
C 4.676429 1.806354 -0.072087
C -4.885023 1.133049 1.341716
C 5.452992 0.560526 0.296116
C -5.211873 0.948817 -0.122739
H -0.946094 -0.935301 1.414834
H 0.423254 -1.157872 -1.342258
H 1.092293 0.314507 1.300205
H -1.366634 1.489185 1.216201
H -1.843378 2.201934 -0.329519
H 0.262805 1.543356 -1.404185
H 0.625390 2.413018 0.091483
H -1.612874 -3.158613 0.854643
H -1.643226 -2.846847 -0.882572
H 3.261317 -0.734103 1.405000
H -3.900149 -2.244204 -0.670901
H -3.812333 -2.331547 1.086231
H 0.828656 -3.216698 -0.013619
H 1.208118 -2.278763 1.431773
H 3.307285 -2.997137 0.327228
H 2.800532 -2.308230 -1.216064
H -2.241558 -1.021555 -2.221498
H -2.663197 0.683797 -2.241187
H -0.959639 0.193668 -2.319021
H -2.824472 0.836066 2.028834
H -3.883862 -0.534797 2.342975
H 3.029079 1.736854 1.329902
H 2.658688 2.568607 -0.182199
H 2.103507 -0.494901 -2.276675
H 2.109335 1.270547 -2.274159
H 3.633443 0.383649 -2.224812
H 4.972863 -0.938638 -1.161489
H 5.375817 -1.588311 0.427037
H 5.105837 2.681382 0.459609
H 4.836306 2.014159 -1.150734
H -4.693602 2.201077 1.560529
H -5.752837 0.851020 1.968318


%chk=000250792-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250792

0 1
O -4.489328 0.098825 -0.555463
O 6.439363 0.759561 1.247076
O -6.018737 1.834703 -0.365134
C -1.956542 -0.054826 -0.393224
C -1.048438 -1.177047 0.201628
C 0.411015 -1.117223 -0.293022
C 1.016223 0.282983 0.065003
C -3.339043 -0.474930 0.236108
C 2.529329 0.412880 -0.367001
C -1.366254 1.319534 0.008109
C 0.115082 1.445333 -0.443901
C -1.861500 -2.480127 -0.025367
C 3.312295 -0.765276 0.319307
C -3.355756 -2.027240 0.084647
C 1.256658 -2.262174 0.315464
C 2.748893 -2.152488 -0.061756
C -2.079729 -0.136939 -1.941558
C -3.620502 0.034192 1.684084
C 3.120008 1.746197 0.190275
C 2.674836 0.387169 -1.913950
C 4.846998 -0.689058 0.088384
C 4.657169 1.882042 0.006177
C -4.414672 1.342366 1.495354
C 5.418187 0.660202 0.514390
C -5.090369 1.174663 0.129793
H -1.006513 -1.005011 1.302863
H 0.411947 -1.241627 -1.396103
H 1.011810 0.340471 1.180848
H -1.404974 1.443360 1.109839
H -1.954115 2.146802 -0.437609
H 0.156417 1.500494 -1.547826
H 0.505618 2.410236 -0.070147
H -1.610209 -3.259545 0.714538
H -1.648111 -2.901764 -1.025536
H 3.146343 -0.642039 1.414275
H -3.928242 -2.288568 -0.821955
H -3.870802 -2.501658 0.938092
H 0.853614 -3.240227 -0.011051
H 1.159658 -2.231102 1.422291
H 3.328753 -2.941173 0.457604
H 2.882715 -2.329777 -1.148289
H -2.483816 -1.106423 -2.278477
H -2.771150 0.642603 -2.303508
H -1.105168 0.009865 -2.435884
H -2.697434 0.165160 2.271644
H -4.247358 -0.707777 2.210021
H 2.882715 1.814484 1.272195
H 2.638508 2.613575 -0.298553
H 2.190550 -0.495737 -2.365353
H 2.215819 1.285681 -2.364491
H 3.732814 0.373080 -2.230309
H 5.070240 -0.845355 -0.987728
H 5.367033 -1.486626 0.648904
H 5.042183 2.779480 0.521261
H 4.887037 1.999516 -1.073030
H -3.762537 2.233671 1.451565
H -5.177936 1.527008 2.267791


