%chk=000257422.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257422

0 1
O -4.428419 -0.059071 0.292658
O 4.608749 0.478922 0.398722
O 6.385500 -0.799016 0.594677
O -4.407805 -2.025704 -0.828856
C -1.016541 1.138383 -0.319201
C -1.930191 -0.084712 0.025210
C 0.393083 0.925156 0.245621
C 0.988892 -0.326004 -0.475065
C -1.373470 -1.305127 -0.724206
C -3.300676 0.446926 -0.493134
C -1.844518 2.355562 0.128157
C 0.083653 -1.565361 -0.307144
C 2.407954 -0.583642 0.078398
C 1.287038 2.162362 0.046376
C -3.301358 1.965722 -0.213965
C 3.276548 0.671479 -0.169150
C -2.032468 -0.373648 1.528152
C 2.717344 1.906224 0.534272
C 3.128969 -1.764388 -0.508838
C 4.464385 -1.818823 -0.447516
C 5.248982 -0.741341 0.197295
C -4.897319 -1.323229 0.025336
C -6.043563 -1.616473 0.930222
H -0.923146 1.201134 -1.435082
H 0.327703 0.712719 1.341153
H 1.066450 -0.100087 -1.566454
H -1.437966 -1.153153 -1.817984
H -2.000179 -2.198466 -0.525150
H -3.490452 0.186341 -1.551585
H -1.537645 3.276592 -0.390406
H -1.727885 2.548390 1.207860
H 0.109073 -1.911791 0.744341
H 0.485676 -2.403027 -0.909374
H 2.332555 -0.757558 1.186730
H 0.858468 3.023012 0.595425
H 1.297250 2.462936 -1.018904
H -3.987783 2.196000 0.622489
H -3.677313 2.526166 -1.084349
H 3.434058 0.848520 -1.256081
H -2.582008 -1.303079 1.712347
H -1.044723 -0.471377 1.992200
H -2.569108 0.424697 2.054858
H 3.367767 2.781197 0.337277
H 2.747843 1.767319 1.633188
H 2.525023 -2.554512 -0.955669
H 5.057982 -2.646702 -0.835816
H -6.960912 -1.799961 0.348469
H -6.249311 -0.791615 1.630607
H -5.850783 -2.524194 1.522989


%chk=000257422-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257422

0 1
O -4.482222 -0.231611 0.306228
O 4.744884 0.543236 0.163222
O 6.640167 -0.748567 0.020369
O -4.637325 -1.719608 -1.494240
C -1.027161 1.105853 -0.174648
C -1.930001 -0.079895 0.301712
C 0.436704 0.961710 0.278001
C 1.007977 -0.372256 -0.312095
C -1.378149 -1.390269 -0.307302
C -3.280376 0.419239 -0.289963
C -1.834156 2.376648 0.208095
C 0.118951 -1.594032 0.052906
C 2.487940 -0.552211 0.143728
C 1.309717 2.172659 -0.134822
C -3.329737 1.940889 0.025646
C 3.319521 0.675088 -0.283972
C -2.039437 -0.191677 1.845004
C 2.785940 1.986964 0.288887
C 3.186902 -1.792000 -0.382273
C 4.539707 -1.814581 -0.542572
C 5.400853 -0.672636 -0.128543
C -5.074203 -1.284545 -0.404570
C -6.301638 -1.781787 0.329291
H -1.017518 1.057075 -1.289424
H 0.470081 0.890361 1.387660
H 1.000259 -0.267223 -1.421342
H -1.489118 -1.353327 -1.409931
H -1.963475 -2.264512 0.036697
H -3.300482 0.218255 -1.378156
H -1.574814 3.240002 -0.428873
H -1.631966 2.673491 1.254358
H 0.224120 -1.807909 1.135950
H 0.479480 -2.496535 -0.476360
H 2.486825 -0.598282 1.257428
H 0.909833 3.097360 0.321455
H 1.250153 2.309536 -1.235341
H -3.917729 2.102358 0.945956
H -3.831536 2.497657 -0.784233
H 3.333327 0.720154 -1.394540
H -2.787204 -0.959562 2.110279
H -1.080319 -0.481012 2.306026
H -2.363442 0.755109 2.310980
H 3.410635 2.826487 -0.065668
H 2.868731 1.958132 1.392543
H 2.595401 -2.687184 -0.610028
H 5.076229 -2.697833 -0.902103
H -7.066296 -0.985833 0.363879
H -6.048848 -2.037891 1.372225
H -6.711779 -2.661790 -0.186423


