National Institute of Standards and Technology

Computational Chemistry Comparison and Benchmark DataBase
Release 22	May 2022
NIST Standard Reference Database 101

I	Introduction
II	Experimental data
III	Calculated data
IV	Data comparisons
V	Cost comparisons
VI	Input and output files
VII	Tutorials and Units
VIII	Links to other sites
IX	Feedback
X	Older CCCBDB versions
XII	Geometries
XIII	Vibrations
XIV	Reaction data
XV	Entropy data
XVI	Bibliographic data
XVII	Ion data
XVIII	Bad calculations
XIX	Index of properties
XX	H-bond dimers
XXI	Oddities

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I.B.1.c.2.

Species in point group T_d

Species	Name	casno
BH4-	borohydride anion	16971292
CH4-	Methane anion	74828
CH4	Methane	74828
CH4+	Methane cation	74828
CD4	methane-d4	558203
NH4	Ammonium radical	14798039
NH4+	ammonium cation	14798039
AlH4-	Aluminum tetrahydride anion	19469819
SiH4	Silane	7803625
PH4+	phosphonium cation	16749136
GeH4	Germane	7782652
AsH4+	Arsonium	53250401
SnH4	Stannane	2406522
C4H4	Tetrahedrane	157391
P4	Phosphorus tetramer	12185103
As4	Arsenic tetramer	12187085
C5H12	Propane, 2,2-dimethyl-	463821
NC4H12+	tetramethyl ammonium cation	51923
BF4-	tetrafluoroboron anion	14874705
CF4	Carbon tetrafluoride	75730
SiF4	Silicon tetrafluoride	7783611
Si(CH3)4	tetramethylsilane	75763
PO4---	phosphate	14265442
SO4--	sulfate	14808798
ClO4-	perchlorate anion	14797730
CCl4	Carbon tetrachloride	56235
CCl4+	Carbon tetrachloride cation	56235
SiCl4	Silane, tetrachloro-	10026047
TiF4	Titanium tetrafluoride	7783633
TiCl4	Titanium tetrachloride	7550450
GeF4	Germanium tetrafluoride	7783586
GeCl4	Germanium Tetrachloride	10038989
CBr4	Carbon tetrabromide	558134
SiBr4	Silicon tetrabromide	7789664
GeBr4	Germanium tetrabromide	13450925
CI4	tetraiodomethane	507255
SiI4	silicon tetraiodide	13465844
C(CN)4	tetracyanomethane	24331097
C10H16	adamantane	281232