Home   Manual

Not able to visualize molecular orbitals from orca output

I have computed molecular orbitals for water molecule in ORCA and not able to visualize the same in avogadro version 1.93.0-2-gf4e4606 with open babel version 3.1.0. my input file is given bellow:

! B3LYP def2-SVP Opt PAL8

%output
Print[P_Basis]2
Print[P_MOs]1
end

*xyz 0 1
O 0.000000000 0.000000000 0.000000000
H 0.000000000 0.759337000 0.596043000
H 0.000000000 -0.759337000 0.596043000
*

link for the output file is:

Currently, I am using Ubuntu 20.10.

Kindly help me how to visualize the MOs.

I generally use orca_2mkl basename -molden to generate a Molden file.
(I’d like to see support for mkl files too, so help welcome.)