Dear developers,
I noticed wB97X-D calculation by QChem gave different energy to other quantum chemistry packages.
Ne cc-pvdz/wb97x-d
Psi4: -128.8874883792256
-128.887480845 [*]
GAMESS: -128.8874855766
Qchem: -128.88384634 [!]
[!] different
Note that I can reproduce the same energies among QC packages for Ne b3lyp/cc-pvdz as follows:
Ne cc-pvdz/b3lyp
Psi4: -128.90946300805294
GAMESS: -128.9094629934
Qchem: -128.90946758
I uploaded inputfiles and output files here: https://www.dropbox.com/s/uc25gi1f7np40pi/Ne.qchemdifferentwb97xd.tar.gz?dl=0
Thank you