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	hartrees
Energy at 0K	-63.462357
Energy at 298.15K
HF Energy	-63.462357
Nuclear repulsion energy	15.262375

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	3445	3314	13.33	204.10	0.08	0.14
2	A₁	1607	1546	19.20	27.32	0.54	0.70
3	A₁	884	851	58.56	128.16	0.09	0.16
4	B₁	553	532	206.68	206.04	0.75	0.86
5	B₂	3544	3409	13.83	163.69	0.75	0.86
6	B₂	494	475	172.10	0.41	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	-1.401
N2	0.000	0.332
H3	0.821	0.940
H4	-0.821	0.940

	Li1	N2	H3	H4
Li1		1.7328	2.4812	2.4812
N2	1.7328		1.0222	1.0222
H3	2.4812	1.0222		1.6428
H4	2.4812	1.0222	1.6428

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	N2	H3	126.532		Li1	N2	H4	126.532
H3	N2	H4	106.936

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

using model chemistry: B3LYP/6-31G

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	0.462
2	N	-0.947
3	H	0.242
4	H	0.242

	x	y	z	Total
	0.000	0.000	-3.747	3.747
CHELPG
AIM
ESP

<r²>	14.615
(<r²>)^1/2	3.823

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

using model chemistry: B3LYP/6-31G

States and conformations

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