#
#Opt slowconv
#
! opt freq wb97x-d3bj def2-svp def2/J tightscf slowconv
%pal nprocs 8 end
%maxcore 8000
%basis newgto O "ma-def2-svp" end end
%geom trust 0.05 end
%cpcm smd true
smdsolvent "thf"
end

* xyz 0 1
N     1.126901000000      1.224307000000     -1.649261000000
O     2.379662000000      0.974403000000     -1.394452000000
C     0.553781000000      2.327675000000     -1.306214000000
C     0.402616000000      0.148525000000     -2.329777000000
H    -0.503037000000      2.426936000000     -1.562903000000
C     1.300519000000      3.377508000000     -0.569534000000
H     0.932838000000     -0.081725000000     -3.263668000000
H     0.414433000000     -0.730920000000     -1.672207000000
H    -0.630460000000      0.454445000000     -2.535018000000
H     2.220554000000      3.650371000000     -1.111644000000
H     0.676138000000      4.269099000000     -0.426119000000
H     1.608000000000      2.982194000000      0.413834000000
C     0.372095000000      0.487360000000      1.439809000000
C    -0.795578000000      0.184415000000      1.181848000000
O     1.555572000000      0.787948000000      1.691879000000
Li    2.796435000000      0.255558000000      0.339526000000
O     2.654396000000     -1.686544000000      0.220762000000
O     4.679684000000      0.706572000000      0.633058000000
C     2.145442000000     -2.478282000000      1.276979000000
H     1.155215000000     -2.893109000000      1.015432000000
H     2.834512000000     -3.310688000000      1.509433000000
H     2.043173000000     -1.831351000000      2.158260000000
C     2.849959000000     -2.397547000000     -0.984382000000
H     1.905117000000     -2.854964000000     -1.331083000000
H     3.202143000000     -1.683778000000     -1.741357000000
H     3.601742000000     -3.197443000000     -0.853136000000
C     5.640582000000     -0.079889000000     -0.045729000000
H     6.649661000000      0.089055000000      0.371728000000
H     5.367716000000     -1.135008000000      0.092376000000
H     5.656351000000      0.156086000000     -1.125553000000
C     4.944711000000      2.096007000000      0.563401000000
H     4.962238000000      2.444185000000     -0.484586000000
H     4.144632000000      2.617732000000      1.106594000000
H     5.914374000000      2.331602000000      1.038135000000
C    -2.141422000000     -0.140318000000      0.789322000000
C    -3.236883000000      0.665766000000      1.150184000000
C    -2.426254000000     -1.284409000000      0.006067000000
C    -4.545775000000      0.362692000000      0.759344000000
H    -3.060544000000      1.559266000000      1.756078000000
C    -3.721375000000     -1.595775000000     -0.389286000000
H    -1.603814000000     -1.940197000000     -0.294399000000
C    -4.795783000000     -0.773945000000     -0.016284000000
H    -3.922339000000     -2.484236000000     -0.994654000000
H    -5.357376000000      1.023875000000      1.068139000000
O    -6.032226000000     -1.153997000000     -0.447700000000
C    -7.142736000000     -0.353140000000     -0.090411000000
H    -7.048716000000      0.670815000000     -0.492092000000
H    -8.028041000000     -0.830668000000     -0.531780000000
H    -7.269708000000     -0.303398000000      1.005065000000
*

