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	hartrees
Energy at 0K	-63.029785
Energy at 298.15K
HF Energy	-63.029785
Nuclear repulsion energy	15.306776

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	3382	3258	10.54	209.05	0.07	0.13
2	A₁	1636	1576	10.28	40.23	0.55	0.71
3	A₁	930	896	39.44	248.67	0.12	0.21
4	B₁	519	500	197.31	255.81	0.75	0.86
5	B₂	3470	3342	17.82	172.26	0.75	0.86
6	B₂	463	446	164.49	0.43	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	-1.387
N2	0.000	0.325
H3	0.821	0.943
H4	-0.821	0.943

	Li1	N2	H3	H4
Li1		1.7119	2.4708	2.4708
N2	1.7119		1.0278	1.0278
H3	2.4708	1.0278		1.6416
H4	2.4708	1.0278	1.6416

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	N2	H3	127.003		Li1	N2	H4	127.003
H3	N2	H4	105.993

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

using model chemistry: HSEh1PBE/3-21G

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	0.339
2	N	-0.835
3	H	0.248
4	H	0.248

	x	y	z	Total
	0.000	0.000	-3.134	3.134
CHELPG
AIM
ESP

<r²>	14.715
(<r²>)^1/2	3.836

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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