HCCO-_HNCN-_relocalization

I. Gaussian 16 log files for HCCO- and HNCN- stretch-bend PES: A. hcco-_b3lyp_opt+f-anh.log, hncn-_b3lyp_opt+f-anh.log: B3LYP/aug-cc-pVTZ optimization and anharmonic frequency analysis B. hcco-_ccsd_lin_opt+f.log, hcco-_ccsd_opt+f.log, hcco-_ccsdt_lin_opt.log, hcco-_ccsdt_opt.log, hncn-_ccsd_lin_opt+f.log, hncn-_ccsd_opt+f.log, hncn-_ccsdt_lin_opt.log, hncn-_ccsdt_opt.log,: CCSD/aug-cc-pVTZ and CCSD(T)/aug-cc-pVTYZ geometry optimizations for linear and non-linear stationary points C. hcco-_ccsd@ccsdt_pop.log, hncn-_ccsd@ccsdt_pop.log: CCSD/aug-cc-pVTZ electronic properties (e.g., dipole moments) at CCSD(T) optimized geometriesII. FEMvib filesA. hcco-_coordinates, hncn-_coordinates: PES geometriesB. hcco-_energyP, hncn-_energyP: PES energiesC. hcco-_input, hncn-_input: FEMvib input filesD. hcco-_femvib.log, hncn-_femvib.log: FEMvib output files