%chk=000245923.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245923

0 1
O 1.168074 -1.583891 2.178274
O -0.213819 0.670777 1.972454
O -2.687496 -1.444505 -2.287000
O 5.339638 1.370276 -1.561560
C 1.092367 -1.563779 0.759792
C -0.247623 -1.006876 0.289588
C -2.186023 0.616186 0.661113
C 2.226489 -0.783983 0.128127
C -0.828699 0.143584 1.063919
C -2.838881 0.073265 -0.463068
C -0.876578 -1.513090 -0.775854
C -2.186797 -1.000469 -1.276993
C -2.810025 1.616730 1.411923
C 2.989597 -1.380739 -0.883817
C 2.528978 0.521725 0.555010
C -4.105122 0.536516 -0.825878
C -4.083562 2.076554 1.046063
C -4.727935 1.539553 -0.067951
C 4.045606 -0.689424 -1.482315
C 3.576551 1.231780 -0.019928
C 4.323557 0.610703 -1.037425
H 1.163184 -2.657972 0.524129
H -0.471040 -2.344316 -1.362172
H -2.296528 2.035980 2.283125
H 2.766076 -2.396056 -1.213937
H 1.932504 0.984995 1.348388
H -4.603064 0.111464 -1.703310
H -4.566192 2.856380 1.636773
H -5.717949 1.896910 -0.355051
H 1.153700 -0.665205 2.561336
H 4.634191 -1.153022 -2.266732
H 3.829620 2.241849 0.295897
H 5.840303 0.891099 -2.267022


%chk=000245923-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245923

0 1
O 1.223044 -1.768657 2.209634
O -0.258887 0.565088 2.115082
O -2.863548 -1.697145 -2.152347
O 5.385390 1.501085 -1.576283
C 1.113132 -1.611771 0.756067
C -0.269559 -1.085073 0.348739
C -2.187079 0.597971 0.667055
C 2.240385 -0.775920 0.133517
C -0.866463 0.063847 1.105730
C -2.875358 0.017012 -0.437499
C -0.963537 -1.640157 -0.697253
C -2.277938 -1.145325 -1.164717
C -2.762279 1.693292 1.357211
C 2.994988 -1.313691 -0.936842
C 2.567792 0.523599 0.607099
C -4.128134 0.535209 -0.838899
C -4.011078 2.207102 0.950198
C -4.694592 1.628020 -0.148375
C 4.046498 -0.583869 -1.531700
C 3.616501 1.261550 0.028497
C 4.354504 0.709008 -1.044756
H 1.202527 -2.641910 0.368530
H -0.556160 -2.491094 -1.257036
H -2.216379 2.121210 2.203738
H 2.769868 -2.320985 -1.308276
H 2.003883 0.961595 1.437035
H -4.636163 0.068063 -1.688662
H -4.453763 3.054198 1.484386
H -5.664508 2.029174 -0.460710
H 0.982024 -0.891721 2.620535
H 4.623288 -1.021442 -2.356853
H 3.878669 2.259968 0.390580
H 5.846036 1.034765 -2.317523


