#
#Freq
#
! freq wb97x-d3bj def2-svp def2/J tightscf
%pal nprocs 8 end
%maxcore 8000
%basis newgto O "ma-def2-svp" end end
%cpcm smd true
smdsolvent "thf"
end

* xyz 0 1
  N           0.98511263701344      1.16751336721825     -1.44091441059208
  O           2.20954614967835      0.76686982176284     -1.25019709620753
  C           0.53505031244504      2.27859382037344     -0.96518632748708
  C           0.14091735994605      0.25085873384899     -2.21009181843379
  H          -0.50961168283890      2.51187513878625     -1.18157554977151
  C           1.39925087214000      3.15853960957064     -0.13974246857780
  H           0.62931275080511      0.06654150639000     -3.17639648083303
  H           0.06927958284183     -0.68925283001953     -1.64696384107660
  H          -0.85623934516553      0.68369005373291     -2.35497468380775
  H           2.32463596413000      3.41097307248299     -0.68292924068679
  H           0.86699217578241      4.07900160858114      0.13349945869953
  H           1.69940130304097      2.62183241437486      0.77652038347318
  C           0.26502486199995      0.17623265599144      1.57271947610779
  C          -0.93772027318082      0.07684980730449      1.31000675179383
  O           1.47689276841798      0.26800281400318      1.82498635181930
  Li          2.60642398364204     -0.21722694227059      0.34801193722007
  O           2.23184958190512     -2.09626546670264     -0.00518952293378
  O           4.52880880718288      0.00201638194426      0.61587507331470
  C           1.61688197679574     -2.95240427948912      0.93878835536097
  H           0.58324715731744     -3.19615878362624      0.63316816779649
  H           2.19087191614859     -3.89040146503666      1.04882282265505
  H           1.59256607901287     -2.42410407559669      1.90101247747363
  C           2.35545503444996     -2.66058825474156     -1.29496123214085
  H           1.36724656342469     -2.95168519661922     -1.69567912708650
  H           2.79905698516067     -1.90056880313255     -1.95238121435590
  H           3.00513840419184     -3.55468498104548     -1.27340506817914
  C           5.40274718782769     -0.81707140885535     -0.13776983780979
  H           6.42222965179876     -0.79594978577514      0.28766443943712
  H           5.01827274417891     -1.84532053010825     -0.09538264712077
  H           5.44805070457752     -0.48579562794211     -1.19137365245342
  C           4.94183131481156      1.35551936358920      0.67661326149648
  H           4.99919188939587      1.79828445901813     -0.33349652547793
  H           4.20063120416897      1.90579269004130      1.27247203391699
  H           5.92962378831890      1.43918618854014      1.16462636142569
  C          -2.30636998064341      0.03374799788621      0.89673481155631
  C          -3.24250991108808      0.99664086229730      1.34199043053255
  C          -2.77665701442855     -0.96354408555160      0.00954642318494
  C          -4.56744537819313      0.96831492289153      0.92216654670773
  H          -2.90989655798360      1.77930397719576      2.02923706107964
  C          -4.10084972111787     -0.99332834693424     -0.41241401457006
  H          -2.07894507082907     -1.72501174865139     -0.34951963088694
  C          -5.01846106646182     -0.02662434797665      0.03645239036138
  H          -4.43650957683958     -1.77491785975477     -1.09982750143494
  H          -5.26896192394444      1.72659717177695      1.28118776399947
  C          -6.39251179494123     -0.05551168361536     -0.40257792210881
  C          -7.54579905428645     -0.07637169201653     -0.77775604616854
  H          -8.57837036060885     -0.09792424414048     -1.08978491921141
*

