%chk=000242528.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242528

0 1
O 2.605223 0.635621 1.293287
O 0.217259 -0.549206 0.159001
O 3.591057 -2.588446 0.865626
O 2.849390 -1.416141 -2.186533
O 3.864427 2.355912 0.550532
O 2.282970 0.996952 -1.407954
C 2.246502 -0.761593 1.372194
C 2.703816 -1.663101 0.202718
C 3.482281 -1.022817 -0.975741
C 3.533756 0.524518 -0.925696
C 3.800166 0.946175 0.533479
C 0.716108 -0.720728 1.509726
C -1.180802 -0.140963 0.029550
C -1.318755 1.355524 0.296491
C -2.013000 -1.026155 0.951907
C -1.470202 -0.382781 -1.452616
C -2.595605 1.939288 0.338068
C -2.240191 -2.364158 0.590086
C -2.797554 -0.519331 -1.889122
C -0.189566 2.168867 0.443482
C -2.501848 -0.556541 2.178619
C -0.427512 -0.437151 -2.385441
C 4.145170 2.926649 1.851927
C -2.734585 3.313573 0.542172
C -2.966013 -3.210159 1.431364
C -3.072676 -0.709255 -3.244927
C -0.329323 3.544882 0.646684
C -3.229733 -1.404723 3.018965
C -0.706159 -0.630990 -3.741894
C -1.601619 4.119876 0.699596
C -3.465831 -2.730973 2.646753
C -2.028019 -0.766262 -4.174174
H 2.715272 -1.138589 2.319419
H 1.832066 -2.227793 -0.216450
H 4.501919 -1.468848 -1.045058
H 4.271779 0.950935 -1.641293
H 4.676059 0.469881 1.012094
H 0.396147 0.125364 2.145922
H 0.317276 -1.671824 1.907376
H 3.713667 -3.392953 0.319254
H 2.070807 -0.795373 -2.375152
H 1.595442 0.982342 -0.651459
H -3.482951 1.320858 0.205441
H -1.845359 -2.744947 -0.354293
H -3.616895 -0.480031 -1.171970
H 0.821761 1.730518 0.394142
H -2.318865 0.473417 2.489680
H 0.615685 -0.326055 -2.053699
H 5.142559 2.632273 2.187442
H 3.372202 2.626646 2.567020
H 4.096264 4.002742 1.645425
H -3.727316 3.759162 0.572596
H -3.141795 -4.244521 1.139628
H -4.103614 -0.812055 -3.579111
H 0.559773 4.165434 0.754032
H -3.611905 -1.028577 3.966711
H 0.110361 -0.671412 -4.461932
H -1.711788 5.191173 0.855202
H -4.034466 -3.389644 3.300977
H -2.244917 -0.913186 -5.230473


%chk=000242528-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242528

0 1
O 2.596067 0.794064 0.639573
O 0.059422 -0.408389 0.027894
O 2.408738 -2.918860 0.853398
O 4.534868 -2.467812 -1.180116
O 4.382606 2.237381 0.130439
O 3.963974 0.193020 -1.859625
C 2.190056 -0.536880 1.160844
C 2.673776 -1.637660 0.193250
C 4.181787 -1.512021 -0.122109
C 4.566346 -0.076307 -0.544338
C 4.074902 0.907346 0.530646
C 0.677177 -0.520673 1.355359
C -1.395173 -0.069739 0.012224
C -1.594441 1.415732 0.420981
C -2.137213 -1.087796 0.906068
C -1.800335 -0.181408 -1.478341
C -2.872324 1.919060 0.776937
C -2.361692 -2.401593 0.417950
C -3.168022 -0.257640 -1.843257
C -0.509666 2.322635 0.322514
C -2.467234 -0.805475 2.255947
C -0.822407 -0.135699 -2.500630
C 4.034604 3.255043 1.139351
C -3.058337 3.292855 1.043221
C -2.927974 -3.395040 1.243576
C -3.550207 -0.287759 -3.201097
C -0.695412 3.696923 0.591672
C -3.037082 -1.797241 3.085527
C -1.203922 -0.169193 -3.861075
C -1.969165 4.190204 0.954555
C -3.274478 -3.095612 2.582209
C -2.568969 -0.242488 -4.218696
H 2.663934 -0.708419 2.153865
H 2.101054 -1.558594 -0.752624
H 4.765159 -1.831407 0.761605
H 5.657976 0.009395 -0.680009
H 4.516473 0.656340 1.527602
H 0.396504 0.338348 1.996149
H 0.370145 -1.463915 1.844980
H 2.782445 -3.629389 0.270259
H 4.274447 -2.032015 -2.037750
H 3.143369 0.735088 -1.718326
H -3.730468 1.241266 0.842823
H -2.082835 -2.643569 -0.612951
H -3.939126 -0.304697 -1.066169
H 0.476638 1.944378 0.034618
H -2.279290 0.192683 2.665225
H 0.232599 -0.084325 -2.220531
H 4.561511 3.054486 2.094704
H 2.944651 3.276475 1.313791
H 4.377004 4.212103 0.719214
H -4.053827 3.661924 1.315212
H -3.094450 -4.402357 0.845837
H -4.612362 -0.348267 -3.464157
H 0.154911 4.384023 0.507965
H -3.288963 -1.556320 4.124513
H -0.434112 -0.137030 -4.640642
H -2.113912 5.257104 1.158689
H -3.716505 -3.865695 3.224428
H -2.864937 -0.265289 -5.273569


