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	hartrees
Energy at 0K	-2237.286520
Energy at 298.15K	-2237.287391
HF Energy	-2237.286520
Nuclear repulsion energy	34.687784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2115	2102	74.19
2	A₁	894	888	20.53
3	E	2137	2124	91.35
3	E	2137	2124	91.35
4	E	975	969	8.42
4	E	975	969	8.42

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.073
H2	0.000	1.273	-0.799
H3	1.102	-0.636	-0.799
H4	-1.102	-0.636	-0.799

	As1	H2	H3	H4
As1		1.5423	1.5423	1.5423
H2	1.5423		2.2041	2.2041
H3	1.5423	2.2041		2.2041
H4	1.5423	2.2041	2.2041

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	As1	H3	91.211		H2	As1	H4	91.211
H3	As1	H4	91.211

All results from a given calculation for AsH₃ (Arsine)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

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	-0.562
2	H	0.187
3	H	0.187
4	H	0.187

	x	y	z	Total
	0.000	0.000	-0.236	0.236
CHELPG
AIM
ESP

<r²>	19.744
(<r²>)^1/2	4.443

All results from a given calculation for AsH3 (Arsine)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for AsH₃ (Arsine)