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III.D.10.

Singlet-Triplet Gaps

The CCCBDB has singlet-triplet gap data for the following species

Doublet - Quartet gaps are also included.
Formula Name Multiplicities
B- Boron atom anion 1 - 3
B Boron atom 2 - 4
C Carbon atom 1 - 3
N Nitrogen atom 2 - 4
Al- Aluminum atom anion 1 - 3
Si Silicon atom 1 - 3
Li2 Lithium diatomic 1 - 3
Be2 Beryllium diatomic 1 - 3
BH- boron monohydride anion 2 - 4
B2 Boron diatomic 3 - 5
B2 Boron diatomic 1 - 3
B2 Boron diatomic 1 - 5
CH Methylidyne 2 - 4
CH Methylidyne 2 - 4
CH Methylidyne 2 - 4
BC- boron monocarbide anion 1 - 3
BC boron monocarbide 2 - 4
BC+ boron monocarbide cation 1 - 3
C2 Carbon diatomic 1 - 3
C2 Carbon diatomic 1 - 3
C2 Carbon diatomic 1 - 3
C2 Carbon diatomic 1 - 3
C2+ carbon diatomic cation 2 - 4
NH Imidogen 1 - 3
LiN Lithium Nitride 1 - 3
BeN Beryllium mononitride 2 - 4
BeN+ Beryllium mononitride cation 1 - 3
BN boron nitride 1 - 3
OH+ hydoxyl cation 1 - 3
OH+ hydoxyl cation 1 - 3
LiO- lithium oxide anion 1 - 3
LiO+ lithium oxide cation 1 - 3
CO Carbon monoxide 1 - 3
NO- nitric oxide anion 1 - 3
O2 Oxygen diatomic 1 - 3
CF- carbon monofluoride anion 1 - 3
NF nitrogen fluoride 1 - 3
AlN Aluminum nitride 1 - 3
Al2 Aluminum diatomic 1 - 3
SiC silicon monocarbide 1 - 3
SiF- silicon monofluoride anion 1 - 3
Si2 Silicon diatomic 1 - 3
PH phosphorus monohydride 1 - 3
CP+ carbon monophosphide cation 1 - 3
PF phosphorus monofluoride 1 - 3
SiP+ Silicon monophosphide cation 1 - 3
SH+ sulfur monohydride cation 1 - 3
NS- nitrogen sulfide anion 1 - 3
SO Sulfur monoxide 1 - 3
SF+ sulfur monofluoride cation 1 - 3
PS- phosphorus monosulfide anion 1 - 3
S2 Sulfur diatomic 1 - 3
NCl nitrogen monochloride 1 - 3
ClO+ chlorine monoxide cation 1 - 3
PCl phosphorus chloride 1 - 3
SCl+ sulfur monochloride cation 1 - 3
CaH+ Calcium monohydride cation 1 - 3
ZnS Zinc sulfide 1 - 3
GaN Gallium mononitride 1 - 3
Ge2 Germanium dimer 1 - 3
AsH Arsenic monohydride 1 - 3
AsF Arsenic monofluoride 1 - 3
HSe+ selenium monohydride cation 1 - 3
SeO Selenium monoxide 1 - 3
Se2 Selenium diatomic 1 - 3
BH2- boron dihydride anion 1 - 3
CH2 Methylene 1 - 3
C2H+ Ethynyl cation 1 - 3
NH2+ Amino cation 1 - 3
NCN NCN 1 - 3
HO2+ Hydroperoxy cation 1 - 3
CCO Dicarbon monoxide 1 - 3
BO2+ Boron dioxide cation 1 - 3
HCF Fluoromethylene 1 - 3
CF2 Difluoromethylene 1 - 3
SiH2 silicon dihydride 1 - 3
SiF2 Silicon difluoride 1 - 3
HCS- Thioformyl anion 1 - 3
HCCl Chloromethylene 1 - 3
CHBr bromomethylene 1 - 3
CCH2 vinylidene 1 - 3
ZnCH2 Zinc methylene 1 - 3
CH3COCH3 Acetone 1 - 3

Rules for chemical formula

Species in the CCCBDB