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	hartrees
Energy at 0K	-63.464781
Energy at 298.15K
HF Energy	-63.464781
Nuclear repulsion energy	15.203405

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	3562	3392	3.00	153.08	0.08	0.15
2	A₁	1572	1497	39.50	11.15	0.05	0.09
3	A₁	783	746	135.94	24.62	0.08	0.16
4	B₁	426	406	188.32	102.10	0.75	0.86
5	B₂	3645	3471	0.90	98.12	0.75	0.86
6	B₂	427	407	159.41	0.53	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	-1.423
N2	0.000	0.337
H3	0.806	0.955
H4	-0.806	0.955

	Li1	N2	H3	H4
Li1		1.7594	2.5106	2.5106
N2	1.7594		1.0157	1.0157
H3	2.5106	1.0157		1.6115
H4	2.5106	1.0157	1.6115

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	N2	H3	127.505		Li1	N2	H4	127.505
H3	N2	H4	104.991

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

using model chemistry: wB97X-D/6-31+G**

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	0.426
2	N	-0.942
3	H	0.258
4	H	0.258

	x	y	z	Total
	0.000	0.000	-4.933	4.933
CHELPG
AIM
ESP

<r²>	14.559
(<r²>)^1/2	3.816

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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