[molpro-user] Gaussian and Molpro DFT calculation

[zhendong zhao]

Dear Molpro users,

Here is my another naive question. I want to use molpro to do some DFT
single point energy calculations. Below is my input file.

G03 input:

%chk=dft-g03
%mem=100MW
# b3lyp/6-31G(d,p)
........

Molpro input:

geomtyp=xyz
geometry={
.....
}
basis=6-31g(d,p)                !Pople basis set
df=[b3lyp]
rhf;
dft;

I get different energies from G03, GAMASS and Molpro, I think it should
be normal?. Is it possible to make an equivalent Molpro input to G03
input to give more closer result? Could you give an input example?

Thank you,

Zhendong