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	hartrees
Energy at 0K	-63.422158
Energy at 298.15K
HF Energy	-63.422158
Nuclear repulsion energy	15.287378

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	3497	3497	9.72	195.35	0.12	0.22
2	A₁	1611	1611	26.26	19.70	0.69	0.81
3	A₁	897	897	76.48	40.85	0.08	0.14
4	B₁	577	577	290.77	43.76	0.75	0.86
5	B₂	3598	3598	8.85	165.05	0.75	0.86
6	B₂	503	503	181.83	0.44	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	-1.399
N2	0.000	0.332
H3	0.822	0.936
H4	-0.822	0.936

	Li1	N2	H3	H4
Li1		1.7316	2.4758	2.4758
N2	1.7316		1.0197	1.0197
H3	2.4758	1.0197		1.6434
H4	2.4758	1.0197	1.6434

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	N2	H3	126.308		Li1	N2	H4	126.308
H3	N2	H4	107.384

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

using model chemistry: M06-2X/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	0.509
2	N	-1.015
3	H	0.253
4	H	0.253

	x	y	z	Total
	0.000	0.000	-3.991	3.991
CHELPG
AIM
ESP

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

using model chemistry: M06-2X/6-31G

States and conformations

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