gCP-D3 Webservice

** UPDATE Feb. 2016: We added custom DFT-D3 and gCP options, as well as the specific HF-3c and PBEh-3c correction terms. **

To calculate the gCP-D3 corrections upload your file and select the method
If you are unsure how to calculate binding energies for complexes take a look here

Upload your molecule here:

We accept xyz (=xmol) or Turbomole(=tmol) coordinates,
as well as Gaussian and ORCA output files.
Gaussian input files do not work.

Method:

make selection! custom B3LYP/6-31G(d) HF-3c PBEh-3c

select 'custom' to enable the D3 and/or gCP selection below.

choose between Becke-Johnson-damping (D3(BJ),recommended) or zero-damping (D3(0)) for DFT-D3 and whether to enable the 3-body dispersion term.
Warning: not all D3(BJ)/D3(0) combinations might be parameterized.

functional: --- double-hybrid DFs: B2-PLYP B2GP-PLYP PTPSS PWPB95 DSD-BLYP hybrid-GGAs: HF B3-LYP PW6B95 TPSS0 PBE0 BH-LYP revPBE0 TPSSh BMK mPW1B95 CAM-B3LYP LC-wPBE revPBE38 HSE06 (meta-)GGAs: TPSS PBE revPBE rPBE PBEsol OPBE B97-D B-LYP BOP mPWLYP O-LYP SSB D3(0) only: M05 M05-2X M06 M06L M06-2X M06HF D3(BJ) D3(0) gCP type: --- DFT/SV DFT/def2-SV(P) DFT/def2-SVP DFT/MINIS DFT/MINIX DFT/DZP DFT/def2-TZVP DFT/def-TZVP DFT/6-31G* DFT/cc-pVDZ DFT/aug-cc-pVDZ DFT/LANL HF/SV HF/def2-SV(P) HF/def2-SVP HF/MINIS HF/MINIX HF/DZP HF/def2-TZVP HF/def-TZVP HF/6-31G* HF/cc-pVDZ HF/aug-cc-pVDZ

enable 3-body dispersion term? no Yes