CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	66.36	0.05	kJ mol^-1	1993Jor/Rob:215
Hfg(0K)	73.93	0.05	kJ mol^-1	1993Jor/Rob:215
Entropy (298.15K)	222.81		J K^-1 mol^-1	1993Jor/Rob:215
Integrated Heat Capacity (0 to 298.15K)	10.25		kJ mol^-1	1993Jor/Rob:215
Heat Capacity (298.15K)	38.54		J K^-1 mol^-1	1993Jor/Rob:215

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	A₁	2116		webbook
2	A₁	906
3	E	2123
4	E	1003

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rAsH	1.511	0.000	1	2			1976Hellwege(II/7)	re
aHAsH	92.083	0.043	2	1	3		1976Hellwege(II/7)

Atom	x (Å)	y (Å)	z (Å)
As1	0.0000	0.0000	0.0700
H2	0.0000	1.2558	-0.7700
H3	1.0875	-0.6279	-0.7700
H4	-1.0875	-0.6279	-0.7700

	As1	H2	H3	H4
As1		1.5108	1.5108	1.5108
H2	1.5108		2.1751	2.1751
H3	1.5108	2.1751		2.1751
H4	1.5108	2.1751	2.1751

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A₁	C_3v	True				0.200	NSRDS-NBS10	MW	C_3v	1	1

squib	reference	DOI
1955Ble/Jac:684	GS Blevins, AW Jache, W Gordy "Millimeter Wave Spectra of AsH3 and AsD3" Phys. Rev. 97(3), 684, 1955	10.1103/PhysRev.97.684
1976Hellwege(II/7)	Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.
1988Ber:7065-7076	J Berkowitz "Photoionization mass spectrometric studies of AsHn (n=1–3)" J. Chem. Phys. 89, 7065 (1988)	10.1063/1.455336
1993Jor/Rob:215	AS Jordan, A Robertson, Jr "Thermodynamic properties of AsH3 and its subhydrides" Journal of Materials Science: Materials in Electronics, 4 (1993) 215-224	10.1007/BF00224744
2015Tha/Wu:144302	AJ Thakkar, T Wu "How well do static electronic dipole polarizabilities from gas-phase experiments compare with density functional and MP2 computations?" J. Chem. Phys. 143, 144302 (2015)	10.1063/1.4932594
NSRDS-NBS10	R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967	10.6028/NBS.NSRDS.10
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for AsH3+ (Arsine cation)

Experimental data for AsH₃⁺ (Arsine cation)