Standard ADF examples (from 2010.02 release) Save a file as *.adf and open from within ADFinput - Au2 excitations, scalar ZORA - Au2 ZORA scalar-rel. geoemtry optimization. - Au calculation with spin-orbit interation - AuH spin-orbit excitations - Ethelene bond orders - std printoutEthelene bond orders - std printout - Benzene bond orders - full outputBenzene bond orders - full output - Cr2 Bond Orders - standard printoutCr2 Bond Orders - standard printout - Mo2 relativistic ZORA bond orders - std printoutMo2 relativistic ZORA bond orders - std printout - NaCl bond orders - std printoutNaCl bond orders - std printout - C2H4 Current Response example - CH4 SAOP for NMR - Methane frequencies - Cyanide ion analytical frequenciesCyanide ion analytical frequencies - CN radical, excitations - CN radical, spin-flip excitations - CN radical, excitations, TDA - CO excitations with SAOP potential - C2H2 NMR coupling constants - C2H2 NMR coupling constants - C2H2 NMR coupling constants - title.0_title methane - DMO CD-spectrum - Aspirin geometry optimization in delocalized coordinates - TiF3 ESR A-tensor, ZORA scalar-rel. - TiF3 ESR g-tensor and hyperfine interactions - Nitrogen in homogeneous electric field - Nitrogen in the field of a point charge - Ge2(+) cation, EPR g-tensor - NH3-H2O - WaterExcitations - water - Test1 - Test2 - Test3 - FDE_NMR - water - PtCO in electric field - Ni(CO)4 fragment analysis - PtCl4*H2 fragments analysis - NH3 frequencies - NH3 numerical frequencies - NH3 numerical frequencies in symmetric displacements - NH3 frequencies - NH3 frequencies - H2CO geometry optimization - H2O geometry optimization, cartesian coords - H2O geometry optimization in delocalized coords - H2O geometry optimization in internal coords - Ethane with dihedral=20 degrees - H2O with restrain angle around 125 degrees - H2PO B3LYP with TZ2P basis set - HBr non-relativistic NMR - HBr scalar relativistic Pauli NMR - HBr scalar relativistic ZORA NMR - HBr relativistic ZORA NMR - HBr relativistic ZORA NMR - HCN Geometry Optimization - HCN Geometry Optimization - HCN linear transit - HCN frequencies at the approx TS - HCN Transition state search - HCN frequencies at the transition state - HI spin-orbit ZORA NOSYM Hartree-Fock EFG - HI non-relativistic EFG - HI scalar-relativistic ZORA Hartree-Fock EFG - HI spin-orbit ZORA Hartree-Fock EFG - HI ZORA Analytical Frequencies - Hg(CH3)Br NMR chemical shifts - Hg(CH3)Br NMR chemical shifts - Hg(CH3)Br NMR chemical shifts - H2 hyperpolarizability - He dynamic hyperpolarizability with LB94 potential - Ne core excitations - Ne core excitations spin-orbit - Ne core excitations - Ne core excitations spin-orbit - PF3 nucleus-independent chemical shifts - VOCl3 - PC-CP bond energy w.r.t. unrestricted fragments - PC-CP bond energy w.r.t. unrestricted fragments - AuH relativistic geometry optimization - CH4-HgCl2 transition state search - HCl in water, geometry optimization - VO scalar-relativistic ZORA - VO ESR spin-orbit ZORA - chymotrypsin