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	hartrees
Energy at 0K	-2237.752870
Energy at 298.15K	-2237.753766
HF Energy	-2237.752870
Nuclear repulsion energy	35.084042

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2173	2101	77.77
2	A₁	933	902	32.25
3	E	2186	2114	110.62
3	E	2186	2114	110.62
4	E	1017	983	12.21
4	E	1017	983	12.21

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.071
H2	0.000	1.268	-0.776
H3	1.098	-0.634	-0.776
H4	-1.098	-0.634	-0.776

	As1	H2	H3	H4
As1		1.5246	1.5246	1.5246
H2	1.5246		2.1959	2.1959
H3	1.5246	2.1959		2.1959
H4	1.5246	2.1959	2.1959

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	As1	H3	92.130		H2	As1	H4	92.130
H3	As1	H4	92.130

All results from a given calculation for AsH₃ (Arsine)

using model chemistry: B3LYPultrafine/cc-pVTZ

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	0.061
2	H	-0.020
3	H	-0.020
4	H	-0.020

	x	y	z	Total
	0.000	0.000	-0.274	0.274
CHELPG
AIM
ESP

<r²>	19.585
(<r²>)^1/2	4.425

All results from a given calculation for AsH3 (Arsine)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

All results from a given calculation for AsH₃ (Arsine)