I am asking you for help with gadolinium complexes. I am working with the gadolinium complex shown in the picture, but the program cannot optimize the geometry. Should I draw coordination bonds in the program? is charge and multiplicity good?
below is the input:
# avogadro generated ORCA input file
# Basic Mode
#
! BP86 ZORA ZORA-def2-TZVP SARC/J
%basis
NewGTO Gd "SARC-ZORA-TZVP" end
end
* xyz 0 2