III.F.1. (I.A.4.) |
List of which calculations are completed at ROHF /daug-cc-pVDZ
Species | Name |
---|---|
H- | Hydrogen atom anion |
H2- | hydrogen diatomic anion |
He+ | Helium atom cation |
Al- | Aluminum atom anion |
Al+ | Aluminum atom cation |
Ga- | Gallium atom anion |
Ga+ | Gallium atom cation |
GaH+ | Gallium monohydride cation |
AlH3- | aluminum trihydride anion |
Si- | Silicon atom anion |
Ge- | Germanium anion |
Ge+ | Germanium cation |
CH2- | methylene anion |
GeH3+ | germyl cation |
As- | Arsenic anion |
As+ | Arsenic cation |
PH3+ | Phosphine cation |
AsH3+ | Arsine cation |
S- | Sulfur atom anion |
Se- | Selenium atom anion |
Se+ | Selenium atom cation |
OH+ | hydoxyl cation |
HSe+ | selenium monohydride cation |
H2O- | water anion |
H2O- | water anion |
H2Se+ | Hydrogen selenide cation |
F- | Fluorine atom anion |
Br- | Bromine atom anion |
Br+ | Bromine atom cation |
HF- | hydrogen fluoride anion |
HF+ | hydrogen fluoride cation |
HCl- | hydrogen chloride anion |
HCl+ | hydrogen chloride cation |
HBr- | hydrogen bromide anion |
HBr+ | hydrogen bromide cation |
Na2- | sodium diatomic anion |
B2H6+ | Diborane cation |
C2H2+ | acetylene cation |
C2H2+ | acetylene cation |
N2- | nitrogen diatomic anion |
HNC+ | hydrogen isocyanide cation |
HCP+ | Phosphaethyne cation |
CH2NH+ | Methanimine cation |
CHNH2+ | Aminocarbene cation |
CO- | carbon monoxide anion |
CO+ | carbon monoxide cation |
SiSe+ | Silicon Monoselenide cation |
NO- | nitric oxide anion |
O2- | oxygen diatomic anion |
SO+ | sulfur monoxide cation |
HCO+ | Formyl cation |
HNO+ | Nitrosyl hydride cation |
SOH+ | Sulfur Monoxide, protonated |
H2CO- | formaldehyde anion |
H2CO- | formaldehyde anion |
H2CO+ | formaldehyde cation |
NH2OH+ | Hydroxylamine cation |
CH3OH+ | Methyl alcohol cation |
NH2OH2+ | protonated hydroxylamine |
NH3OH+ | N-protonated hydroxylamine |
NaF+ | sodium fluoride cation |
LiF+ | lithium fluoride cation |
SiBr+ | Silicon monobromide cation |
ClO+ | chlorine monoxide cation |
SF+ | sulfur monofluoride cation |
SCl+ | sulfur monochloride cation |
BrO+ | Bromine monoxide cation |
SBr+ | Sulfur monobromide cation |
F2- | flourine diatomic anion |
F2+ | flourine diatomic cation |
ClF+ | clorine monofluoride cation |
Cl2+ | chlorine diatomic cation |
Br2- | bromine diatomic anion |
Br2+ | bromine diatomic cation |
HOCl+ | hypochlorous acid cation |
CH3F+ | methyl fluoride cation |
CH3Cl+ | Methyl chloride cation |
HN3+ | Hydrazoic acid cation |
CH3CN- | acetonitrile anion |
CH3CN- | acetonitrile anion |
HCNCH2+ | 2H-Azirine cation |
C2H4O+ | ethylene oxide cation |
CH3CHO+ | acetaldehyde cation |
H2COCH2+ | Methyl, (methyleneoxoniumyl)- |
FOO+ | Fluorine dioxide cation |
C4H2+ | diacetlyene cation |
CF2O+ | Carbonic difluoride cation |
BF3+ | boron trifluoride cation |
BCl3+ | Boron Trichloride cation |