#
#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                  0.84569777    1.31990384   -1.47961613
 O                  2.08325123    0.88722505   -1.15284305
 C                  0.18798603    2.10715516   -0.62474922
 C                  0.11072078    0.42874840   -2.34985210
 H                 -0.78841825    2.42920463   -0.99992191
 C                  0.97268921    3.11840329    0.16282726
 H                  0.71176954    0.22447790   -3.24834980
 H                 -0.09213321   -0.52799204   -1.83398242
 H                 -0.84415652    0.88738984   -2.64607437
 H                  1.44528539    3.82997857   -0.53537869
 H                  0.30849242    3.67343942    0.83952065
 H                  1.77257685    2.64305969    0.74604434
 C                  0.39169500    0.45723343    1.46718164
 C                 -0.60320001    0.90909427    0.81045638
 O                  1.43361861    0.15414667    1.99652630
 Li                 2.44791291   -0.27118207    0.24672295
 O                  1.89803923   -2.10374119   -0.09762005
 O                  4.36783410   -0.16598575    0.60278989
 C                  1.32255163   -3.01601091    0.81692462
 H                  0.32365151   -3.33899362    0.47146640
 H                  1.96302909   -3.90878371    0.93778365
 H                  1.22593948   -2.50594075    1.78446390
 C                  2.04362827   -2.62302651   -1.40552175
 H                  1.06517363   -2.92841541   -1.81849918
 H                  2.46725425   -1.82901434   -2.03530441
 H                  2.71878108   -3.49819950   -1.40841855
 C                  5.16464636   -0.77082589   -0.39958499
 H                  6.22546222   -0.79789402   -0.09205287
 H                  4.80751144   -1.80118395   -0.53549740
 H                  5.08133986   -0.22498451   -1.35667484
 C                  4.76851274    1.15885309    0.90893517
 H                  4.69434430    1.80961858    0.02019202
 H                  4.09814589    1.53706261    1.69332929
 H                  5.80698149    1.17296338    1.28599829
 C                 -1.99099201    0.51364270    0.58911124
 C                 -2.97535567    1.46334838    0.25893516
 C                 -2.38719916   -0.83727947    0.67897704
 C                 -4.29958542    1.08796249    0.02791296
 H                 -2.70529100    2.52108869    0.19454346
 C                 -3.70576322   -1.22440641    0.45533408
 H                 -1.63763976   -1.59538663    0.92472770
 C                 -4.65615339   -0.25545584    0.12689469
 H                 -3.99791959   -2.27478415    0.52982262
 H                 -5.05396206    1.83757961   -0.22332103
 C                 -6.11498758   -0.67777486   -0.12815325
 N                 -7.21384970   -0.99588529   -0.32026729
*

