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	hartrees
Energy at 0K	-63.440763
Energy at 298.15K
HF Energy	-63.361543
Nuclear repulsion energy	15.345177

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	3511	3511	1.22	197.73	0.05	0.10
2	A₁	1571	1571	20.09	9.70	0.34	0.51
3	A₁	838	838	105.64	37.85	0.10	0.18
4	B₁	425	425	105.36	92.11	0.75	0.86
5	B₂	3581	3581	2.48	115.04	0.75	0.86
6	B₂	386	386	118.17	0.28	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	-1.402
N2	0.000	0.329
H3	0.799	0.951
H4	-0.799	0.951

	Li1	N2	H3	H4
Li1		1.7305	2.4845	2.4845
N2	1.7305		1.0128	1.0128
H3	2.4845	1.0128		1.5989
H4	2.4845	1.0128	1.5989

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	N2	H3	127.879		Li1	N2	H4	127.879
H3	N2	H4	104.242

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

using model chemistry: B2PLYP/Def2TZVPP

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	0.647
2	N	-0.890
3	H	0.121
4	H	0.121

	x	y	z	Total
	0.000	0.000	-4.595	4.595
CHELPG
AIM
ESP

<r²>	14.299
(<r²>)^1/2	3.781

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

using model chemistry: B2PLYP/Def2TZVPP

States and conformations

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