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	hartrees
Energy at 0K	-2237.679239
Energy at 298.15K	-2237.680131
HF Energy	-2237.679239
Nuclear repulsion energy	34.902581

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2164	2100	78.24
2	A₁	928	900	25.95
3	E	2180	2115	104.40
3	E	2180	2115	104.40
4	E	1011	981	10.63
4	E	1011	981	10.63

Atom	x (Å)	y (Å)	z (Å)
As1	0.000	0.000	0.071
H2	0.000	1.274	-0.781
H3	1.103	-0.637	-0.781
H4	-1.103	-0.637	-0.781

	As1	H2	H3	H4
As1		1.5326	1.5326	1.5326
H2	1.5326		2.2065	2.2065
H3	1.5326	2.2065		2.2065
H4	1.5326	2.2065	2.2065

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	As1	H3	92.088		H2	As1	H4	92.088
H3	As1	H4	92.088

All results from a given calculation for AsH₃ (Arsine)

using model chemistry: B3LYPultrafine/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	-0.403
2	H	0.134
3	H	0.134
4	H	0.134

	x	y	z	Total
	0.000	0.000	-0.229	0.229
CHELPG
AIM
ESP

<r²>	19.690
(<r²>)^1/2	4.437

All results from a given calculation for AsH3 (Arsine)

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for AsH₃ (Arsine)