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	hartrees
Energy at 0K	-63.408292
Energy at 298.15K
HF Energy	-63.408292
Nuclear repulsion energy	15.249091

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	3410	3372	2.84	214.00	0.03	0.06
2	A₁	1510	1493	23.60	10.30	0.05	0.10
3	A₁	812	803	111.34	113.45	0.05	0.10
4	B₁	401	397	65.79	206.33	0.75	0.86
5	B₂	3479	3440	0.90	93.33	0.75	0.86
6	B₂	369	364	95.01	1.22	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	-1.406
N2	0.000	0.329
H3	0.805	0.959
H4	-0.805	0.959

	Li1	N2	H3	H4
Li1		1.7351	2.4990	2.4990
N2	1.7351		1.0225	1.0225
H3	2.4990	1.0225		1.6097
H4	2.4990	1.0225	1.6097

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	N2	H3	128.081		Li1	N2	H4	128.081
H3	N2	H4	103.838

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

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	0.098
2	N	-0.252
3	H	0.077
4	H	0.077

	x	y	z	Total
	0.000	0.000	-4.755	4.755
CHELPG
AIM
ESP

<r²>	14.690
(<r²>)^1/2	3.833

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

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