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	hartrees
Energy at 0K	-11.034351
Energy at 298.15K
HF Energy	-11.034351
Nuclear repulsion energy	7.452110

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	3698	3321	12.66	170.81	0.20	0.33
2	A₁	1717	1542	12.51	16.95	0.48	0.65
3	A₁	782	702	115.22	8.35	0.12	0.22
4	B₁	449	404	189.20	37.88	0.75	0.86
5	B₂	3762	3378	10.92	159.74	0.75	0.86
6	B₂	399	358	194.46	0.15	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	-1.451
N2	0.000	0.345
H3	0.797	0.968
H4	-0.797	0.968

	Li1	N2	H3	H4
Li1		1.7965	2.5467	2.5467
N2	1.7965		1.0114	1.0114
H3	2.5467	1.0114		1.5950
H4	2.5467	1.0114	1.5950

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	N2	H3	127.955		Li1	N2	H4	127.955
H3	N2	H4	104.089

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

using model chemistry: HF/CEP-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	0.395
2	N	-0.885
3	H	0.245
4	H	0.245

	x	y	z	Total
	0.000	0.000	-4.978	4.978
CHELPG
AIM
ESP

<r²>	10.040
(<r²>)^1/2	3.169

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

using model chemistry: HF/CEP-31G*

States and conformations

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