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

* xyz 0 1
N     1.252325000000      1.433374000000     -1.427527000000
O     2.478622000000      0.926140000000     -1.164238000000
C     0.661914000000      2.212625000000     -0.515922000000
C     0.446990000000      0.617125000000     -2.309340000000
H    -0.311654000000      2.592262000000     -0.841242000000
C     1.519550000000      3.164030000000      0.271103000000
H     1.008214000000      0.427836000000     -3.236687000000
H     0.214336000000     -0.352956000000     -1.833127000000
H    -0.494809000000      1.131564000000     -2.550976000000
H     2.002956000000      3.871808000000     -0.423663000000
H     0.903605000000      3.730822000000      0.982656000000
H     2.316177000000      2.641284000000      0.817221000000
C     0.871474000000      0.560558000000      1.549970000000
C    -0.136245000000      1.006071000000      0.912055000000
O     1.934112000000      0.266440000000      2.052840000000
Li    2.836291000000     -0.189027000000      0.280687000000
O     2.239237000000     -2.015148000000     -0.038217000000
O     4.788802000000     -0.131600000000      0.509599000000
C     1.807924000000     -2.945068000000      0.934726000000
H     0.789299000000     -3.308379000000      0.706893000000
H     2.492177000000     -3.812020000000      0.981657000000
H     1.801244000000     -2.434687000000      1.907049000000
C     2.241337000000     -2.525116000000     -1.357124000000
H     1.226810000000     -2.846680000000     -1.655095000000
H     2.574116000000     -1.717727000000     -2.022977000000
H     2.927524000000     -3.387392000000     -1.445208000000
C     5.455256000000     -0.678925000000     -0.613706000000
H     6.544507000000     -0.729848000000     -0.435786000000
H     5.071463000000     -1.697246000000     -0.767016000000
H     5.262902000000     -0.075812000000     -1.519098000000
C     5.234154000000      1.173353000000      0.835856000000
H     5.059284000000      1.870226000000     -0.002390000000
H     4.665693000000      1.509698000000      1.714018000000
H     6.310651000000      1.166125000000      1.085400000000
C    -1.518091000000      0.590987000000      0.656552000000
C    -2.527729000000      1.518141000000      0.350917000000
C    -1.895922000000     -0.764675000000      0.682961000000
C    -3.839508000000      1.125610000000      0.085396000000
H    -2.286763000000      2.585785000000      0.329986000000
C    -3.199896000000     -1.176301000000      0.424088000000
H    -1.137091000000     -1.520470000000      0.910990000000
C    -4.213592000000     -0.238238000000      0.110183000000
H    -3.424585000000     -2.243207000000      0.463111000000
H    -4.578737000000      1.895514000000     -0.140106000000
N    -5.506381000000     -0.639138000000     -0.159310000000
C    -6.526048000000      0.348790000000     -0.438374000000
C    -5.859077000000     -2.040313000000     -0.081861000000
H    -7.477493000000     -0.160028000000     -0.640244000000
H    -6.684967000000      1.040313000000      0.410497000000
H    -6.277175000000      0.960656000000     -1.324463000000
H    -6.921702000000     -2.159775000000     -0.330025000000
H    -5.276754000000     -2.654065000000     -0.792919000000
H    -5.698972000000     -2.457484000000      0.930016000000
*

