Gaussian: Use B3LYP-VWN5 instead of B3LYP-VWN3
In Gaussian, the default B3LYP uses the VWN3 or VWN80 local correlation functional instead of the VWN5, which is recommended by the authors of the VWN functional. On the other hand, other programs use the better VWN5 as default. You can run the Gaussian calculation with the better B3LYP by adding the following keyword into your input. B3LYP with VWN3 (Default B3LYP used in Gaussian program)
B3LYP with VWN5
blyp iop(3/76=1000002000) iop(3/77=0720008000) iop(3/78=0810010000)bv5lyp iop(3/76=1000002000) iop(3/77=0720008000) iop(3/78=0810010000)B3LYP* with VWN3
blyp iop(3/76=1000001500) iop(3/77=0720008500) iop(3/78=0810010000)B3LYP* with VWN5
bv5lyp iop(3/76=1000001500) iop(3/77=0720008500) iop(3/78=0810010000)P.S. B3LYP* uses 15% of amount of HF instead of 20% like in B3LYP.
More details:
1. https://dftwft.wordpress.com/2017/07/22/b3lyp-functional/
Rangsiman Ketkaew