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	hartrees
Energy at 0K	-2235.046896
Energy at 298.15K	-2235.047821
HF Energy	-2235.006622
Nuclear repulsion energy	35.401123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2314	2314	63.38
2	A₁	977	977	30.76
3	E	2331	2331	107.63
3	E	2331	2331	107.63
4	E	1092	1092	12.70
4	E	1092	1092	12.70

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.071
H2	0.000	1.252	-0.776
H3	1.084	-0.626	-0.776
H4	-1.084	-0.626	-0.776

	As1	H2	H3	H4
As1		1.5111	1.5111	1.5111
H2	1.5111		2.1680	2.1680
H3	1.5111	2.1680		2.1680
H4	1.5111	2.1680	2.1680

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	As1	H3	91.671		H2	As1	H4	91.671
H3	As1	H4	91.671

All results from a given calculation for AsH₃ (Arsine)

using model chemistry: B2PLYP/6-31G**

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	-0.079
2	H	0.026
3	H	0.026
4	H	0.026

	x	y	z	Total
	0.000	0.000	-0.506	0.506
CHELPG
AIM
ESP

<r²>	19.327
(<r²>)^1/2	4.396

All results from a given calculation for AsH3 (Arsine)

using model chemistry: B2PLYP/6-31G**

States and conformations

All results from a given calculation for AsH₃ (Arsine)