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III.F.1. (I.A.4.) |
List of which calculations are completed at ROMP2 /cc-pVQZ
| Species | Name |
|---|---|
| H- | Hydrogen atom anion |
| He2+ | helium diatomic cation |
| He2+ | helium diatomic cation |
| Be+ | Beryllium atom cation |
| Mg+ | Magnesium atom cation |
| B+ | Boron atom cation |
| AlH2- | aluminum dihydride anion |
| AlH2+ | aluminum dihydride cation |
| BH3+ | boron trihydride cation |
| BH3+ | boron trihydride cation |
| AlH3- | aluminum trihydride anion |
| AlH3- | aluminum trihydride anion |
| AlH3+ | aluminum trihydride cation |
| CH2+ | methylene cation |
| SiH2- | silicon dihydride anion |
| SiH2+ | silicon dihydride cation |
| SiH3- | Silyl anion |
| SiH3+ | Silyl cation |
| SiH3+ | Silyl cation |
| PH2- | Phosphino anion |
| PH2+ | Phosphino cation |
| PH3+ | Phosphine cation |
| H2S+ | Hydrogen sulfide cation |
| H2S+ | Hydrogen sulfide cation |
| H2Se+ | Hydrogen selenide cation |
| H2Se+ | Hydrogen selenide cation |
| Ne+ | Neon atom cation |
| Be2- | Beryllium diatomic anion |
| BC- | boron monocarbide anion |
| SiC- | silicon monocarbide anion |
| SiC+ | silicon monocarbide cation |
| C2H3+ | vinyl cation |
| C2H4- | Ethylene anion |
| C2H4+ | Ethylene cation |
| BeN- | Beryllium mononitride anion |
| SiP- | Silicon monophosphide anion |
| SiP+ | Silicon monophosphide cation |
| LiO- | lithium oxide anion |
| LiO- | lithium oxide anion |
| LiO+ | lithium oxide cation |
| BeO- | Beryllium monoxide anion |
| BeO+ | Beryllium monoxide cation |
| BO- | boron monoxide anion |
| HCO+ | Formyl cation |
| HCS+ | Thioformyl cation |
| HNO+ | Nitrosyl hydride cation |
| HNO+ | Nitrosyl hydride cation |
| HO2- | Hydroperoxy anion |
| HO2+ | Hydroperoxy cation |
| LiF- | lithium fluoride anion |
| LiF+ | lithium fluoride cation |
| LiF+ | lithium fluoride cation |
| BeF- | Beryllium monofluoride anion |
| BeF+ | Beryllium monofluoride cation |
| NCl- | nitrogen monochloride anion |
| NCl+ | nitrogen monochloride cation |
| C3H3+ | cyclopropenyl cation |
| C3H3+ | Propargyl cation |
| N2O- | Nitrous oxide anion |
| OCS+ | Carbonyl sulfide cation |
| NO2- | Nitrogen dioxide anion |
| NO2+ | Nitrogen dioxide cation |
| NO2+ | Nitrogen dioxide cation |
| PO2+ | Phosphorus dioxide cation |
| O3- | Ozone anion |
| O3+ | Ozone cation |
| SO2- | Sulfur dioxide anion |
| SO2+ | Sulfur dioxide cation |
| HOCO+ | Hydrocarboxyl cation |
| CH2CO+ | Ketene cation |
| CF2- | Difluoromethylene anion |
| CF2+ | Difluoromethylene cation |
| CCl2+ | dichloromethylene cation |
| OClO+ | Chlorine dioxide cation |
| NF2+ | Difluoroamino cation |
| SF2+ | sulfur difluoride cation |
| HCCF+ | fluoroacetylene cation |
| C2N2+ | Cyanogen cation |
| SO3- | Sulfur trioxide anion |
| SO3- | Sulfur trioxide anion |
| SO3+ | Sulfur trioxide cation |
| C2Cl2+ | dichloroacetylene cation |
| BF3- | Borane, trifluoro- anion |
| BF3+ | boron trifluoride cation |
| CF3- | Trifluoromethyl anion |
| CCl3- | Trichloromethyl anion |
| CCl3+ | Trichloromethyl cation |
| NF3- | Nitrogen trifluoride anion |
| NF3+ | Nitrogen trifluoride cation |
| C3O2+ | Carbon suboxide cation |