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	hartrees
Energy at 0K	-63.416403
Energy at 298.15K
HF Energy	-63.346365
Nuclear repulsion energy	15.202853

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	3492	3492	2.49	226.55	0.03	0.06
2	A₁	1552	1552	22.74	9.46	0.08	0.14
3	A₁	810	810	123.10	70.27	0.05	0.09
4	B₁	420	420	89.45	109.76	0.75	0.86
5	B₂	3568	3568	1.41	89.95	0.75	0.86
6	B₂	397	397	101.19	1.31	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	-1.418
N2	0.000	0.333
H3	0.804	0.961
H4	-0.804	0.961

	Li1	N2	H3	H4
Li1		1.7515	2.5113	2.5113
N2	1.7515		1.0198	1.0198
H3	2.5113	1.0198		1.6075
H4	2.5113	1.0198	1.6075

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	N2	H3	127.986		Li1	N2	H4	127.986
H3	N2	H4	104.027

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

using model chemistry: B2PLYP/daug-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	Li	0.076
2	N	0.188
3	H	-0.132
4	H	-0.132

	x	y	z	Total
	0.000	0.000	-4.966	4.966
CHELPG
AIM
ESP

<r²>	14.728
(<r²>)^1/2	3.838

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

using model chemistry: B2PLYP/daug-cc-pVDZ

States and conformations

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