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	hartrees
Energy at 0K	-63.513513
Energy at 298.15K
HF Energy	-63.513513
Nuclear repulsion energy	15.342560

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	3485	3372	2.17	179.11	0.06	0.12
2	A₁	1559	1509	28.14	6.50	0.08	0.15
3	A₁	827	800	121.64	50.59	0.04	0.08
4	B₁	433	419	97.01	101.30	0.75	0.86
5	B₂	3548	3433	0.56	89.76	0.75	0.86
6	B₂	383	370	100.85	0.85	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	-1.400
N2	0.000	0.328
H3	0.801	0.951
H4	-0.801	0.951

	Li1	N2	H3	H4
Li1		1.7281	2.4833	2.4833
N2	1.7281		1.0144	1.0144
H3	2.4833	1.0144		1.6019
H4	2.4833	1.0144	1.6019

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	N2	H3	127.854		Li1	N2	H4	127.854
H3	N2	H4	104.291

All results from a given calculation for LiNH₂ (lithium amide)

using model chemistry: B3LYPultrafine/aug-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	Li	0.102
2	N	-0.262
3	H	0.080
4	H	0.080

	x	y	z	Total
	0.000	0.000	-4.811	4.811
CHELPG
AIM
ESP

<r²>	14.470
(<r²>)^1/2	3.804

All results from a given calculation for LiNH2 (lithium amide)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for LiNH₂ (lithium amide)