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	hartrees
Energy at 0K	-2237.317460
Energy at 298.15K
HF Energy	-2237.317460
Nuclear repulsion energy	34.847384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	2120	2120	68.09	245.76	0.01	0.01
2	A₁	895	895	20.65	14.33	0.71	0.83
3	E	2136	2136	94.32	123.92	0.75	0.86
3	E	2136	2136	94.32	123.91	0.75	0.86
4	E	978	978	8.54	21.39	0.75	0.86
4	E	978	978	8.54	21.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.072
H2	0.000	1.266	-0.796
H3	1.096	-0.633	-0.796
H4	-1.096	-0.633	-0.796

	As1	H2	H3	H4
As1		1.5353	1.5353	1.5353
H2	1.5353		2.1927	2.1927
H3	1.5353	2.1927		2.1927
H4	1.5353	2.1927	2.1927

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	As1	H3	91.138		H2	As1	H4	91.138
H3	As1	H4	91.138

All results from a given calculation for AsH₃ (Arsine)

using model chemistry: PBEPBEultrafine/Def2TZVPP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	As	0.012
2	H	-0.004
3	H	-0.004
4	H	-0.004

	x	y	z	Total
	0.000	0.000	-0.244	0.244
CHELPG
AIM
ESP

<r²>	19.575
(<r²>)^1/2	4.424

All results from a given calculation for AsH3 (Arsine)

using model chemistry: PBEPBEultrafine/Def2TZVPP

States and conformations

All results from a given calculation for AsH₃ (Arsine)