%chk=000250823.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250823

0 1
O -4.721086 -1.461922 0.757776
O 6.245917 -0.292688 -0.824451
C -1.307653 1.064756 -0.376297
C 0.087903 1.053422 0.260629
C -2.178388 -0.129429 0.144608
C 0.801539 -0.251359 -0.188491
C 2.232848 -0.365328 0.432966
C -3.551616 0.226126 -0.510014
C -2.204544 2.294993 -0.165585
C -0.049990 -1.504964 0.109576
C -1.495286 -1.401351 -0.324074
C 0.914635 2.270792 -0.181356
C -3.643069 1.770776 -0.385526
C 3.021157 0.918468 0.164498
C 2.319778 2.223675 0.423733
C -2.311751 -0.174748 1.673207
C 2.945956 -1.574901 -0.232986
C 2.184180 -0.555966 1.959151
C -4.773636 -0.487952 0.041815
C 4.449323 -1.609052 0.027875
C 4.310337 0.913681 -0.212769
C -2.092500 -2.372519 -1.014388
C 5.111371 -0.312081 -0.394058
C -6.104551 0.061627 -0.405789
H -1.174511 0.934133 -1.481980
H -0.005745 1.062210 1.372947
H 0.931461 -0.193675 -1.299991
H -3.496723 -0.047869 -1.595290
H -1.956636 3.106453 -0.867026
H -2.085951 2.710020 0.849359
H -0.040255 -1.721787 1.200266
H 0.423615 -2.387137 -0.366913
H 0.409079 3.206591 0.123675
H 0.982102 2.311179 -1.286220
H -4.289520 2.065048 0.458241
H -4.091652 2.206670 -1.292438
H 2.267452 2.378843 1.524004
H 2.915098 3.078323 0.039501
H -2.838377 0.700603 2.063529
H -2.886464 -1.065042 1.977471
H -1.338258 -0.223077 2.170966
H 2.771152 -1.547536 -1.328159
H 2.490065 -2.519168 0.122395
H 1.603717 0.235306 2.447043
H 1.721674 -1.512498 2.228839
H 3.189810 -0.546637 2.395301
H 4.919294 -2.461088 -0.504356
H 4.665176 -1.783525 1.101860
H 4.862810 1.834550 -0.408162
H -3.138424 -2.366019 -1.279793
H -1.590923 -3.270053 -1.341161
H -6.414806 0.902069 0.229400
H -6.099476 0.415648 -1.441492
H -6.890858 -0.703193 -0.315568


%chk=000250823-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250823

0 1
O -4.914117 -1.467542 0.695471
O 6.253047 -0.327973 -1.175430
C -1.339240 1.076734 -0.221829
C 0.089465 1.069121 0.358024
C -2.228039 -0.134016 0.252560
C 0.796509 -0.256904 -0.063145
C 2.280404 -0.379788 0.478168
C -3.565036 0.248320 -0.455600
C -2.233247 2.317786 0.022094
C -0.071519 -1.513445 0.261643
C -1.518543 -1.403486 -0.218997
C 0.910493 2.281632 -0.135396
C -3.692735 1.806211 -0.222868
C 3.045259 0.900163 0.091228
C 2.367606 2.225869 0.385299
C -2.413229 -0.161910 1.800645
C 2.949897 -1.622554 -0.189230
C 2.325338 -0.523854 2.033212
C -4.856093 -0.502009 -0.112805
C 4.489185 -1.638350 -0.088387
C 4.302115 0.875091 -0.459114
C -2.075168 -2.357710 -1.008037
C 5.101747 -0.352584 -0.640366
C -6.114815 -0.017143 -0.833176
H -1.230923 0.959628 -1.324994
H 0.027044 1.123640 1.465319
H 0.884613 -0.210010 -1.173054
H -3.414230 0.096371 -1.548151
H -1.974229 3.154795 -0.649851
H -2.115991 2.683872 1.059400
H -0.072294 -1.678525 1.357618
H 0.383867 -2.410950 -0.192356
H 0.439138 3.225911 0.196841
H 0.914565 2.292150 -1.244997
H -4.333056 2.017082 0.653496
H -4.162096 2.298893 -1.092329
H 2.346032 2.377125 1.486163
H 2.964906 3.056019 -0.033920
H -2.907969 0.755931 2.166711
H -3.045387 -1.020494 2.075196
H -1.449776 -0.251434 2.330194
H 2.667605 -1.637312 -1.261743
H 2.546114 -2.547553 0.262435
H 1.812943 0.310507 2.543204
H 1.845402 -1.464681 2.356169
H 3.369652 -0.539398 2.392334
H 4.921709 -2.497963 -0.630171
H 4.810100 -1.738390 0.968880
H 4.798363 1.810125 -0.751114
H -3.123037 -2.322645 -1.321831
H -1.497706 -3.229332 -1.339923
H -6.420940 0.971196 -0.439973
H -5.932929 0.109748 -1.916421
H -6.935976 -0.732564 -0.670794


