#
#Opt TS slowconv
#
! optts freq wb97x-d3bj def2-svp def2/J tightscf tightopt slowconv
%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                  0.85494287    1.31726287   -1.48149914
 O                  2.09167393    0.88157854   -1.15560712
 C                  0.20056012    2.10773413   -0.62704891
 C                  0.11632846    0.42682984   -2.34939176
 H                 -0.77539930    2.43196954   -1.00149561
 C                  0.98913729    3.11798697    0.15793124
 H                  0.71565214    0.21942872   -3.24832449
 H                 -0.08859221   -0.52851252   -1.83175094
 H                 -0.83761513    0.88771997   -2.64513181
 H                  1.46286964    3.82710913   -0.54199840
 H                  0.32738246    3.67598114    0.83458438
 H                  1.78840885    2.64128973    0.74088807
 C                  0.40222896    0.46054726    1.46723352
 C                 -0.59220918    0.91420102    0.81105259
 O                  1.44395712    0.15533154    1.99573894
 Li                 2.45481432   -0.27564895    0.24532963
 O                  1.89929102   -2.10717665   -0.09541404
 O                  4.37547767   -0.17535797    0.59880007
 C                  1.32237132   -3.01635725    0.82130198
 H                  0.32211827   -3.33703958    0.47761993
 H                  1.96045848   -3.91075825    0.94276463
 H                  1.22843970   -2.50448550    1.78815351
 C                  2.04174091   -2.62894092   -1.40267466
 H                  1.06189758   -2.93219446   -1.81392952
 H                  2.46682477   -1.83713471   -2.03424979
 H                  2.71439620   -3.50603654   -1.40503934
 C                  5.16929207   -0.78404828   -0.40362278
 H                  6.23041623   -0.81365120   -0.09739058
 H                  4.80905414   -1.81359863   -0.53745089
 H                  5.08632408   -0.23948520   -1.36146991
 C                  4.78031329    1.14881665    0.90233913
 H                  4.70686869    1.79838527    0.01266079
 H                  4.11202196    1.53017294    1.68698069
 H                  5.81929592    1.16056546    1.27806523
 C                 -1.98140086    0.52235386    0.59209019
 C                 -2.96347632    1.47433594    0.26165583
 C                 -2.38133642   -0.82729080    0.68459706
 C                 -4.28906124    1.10235804    0.03290418
 H                 -2.69048462    2.53119978    0.19524703
 C                 -3.70127972   -1.21101415    0.46323608
 H                 -1.63362603   -1.58714012    0.93059976
 C                 -4.64932488   -0.23988129    0.13446493
 H                 -3.99632924   -2.26043659    0.53975798
 H                 -5.04161997    1.85372243   -0.21856229
 C                 -6.10967765   -0.65844671   -0.11806776
 C                 -7.24287347   -0.98324260   -0.31402657
 H                 -8.24899964   -1.27161787   -0.48801175
*

