# 3n-cymephos-04-ts-c1-c2

! RI-DSD-PBEB95 D3BJ def2-QZVPP def2/J def2/JK def2-QZVPP/C RIJCOSX CPCM DefGrid2

%maxcore 7000

%pal
nprocs 48
end

%cpcm
smd true
SMDsolvent "1,4-dioxane"
end

*xyzfile 0 1 3n-cymephos-04-ts-c1-c2.xyz


