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	hartrees
Energy at 0K	-63.072705
Energy at 298.15K
HF Energy	-63.072705
Nuclear repulsion energy	15.384461

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	3699	3361	4.15	159.18	0.17	0.29
2	A₁	1688	1534	41.27	3.61	0.72	0.84
3	A₁	842	765	149.80	3.31	0.16	0.28
4	B₁	488	443	236.07	13.80	0.75	0.86
5	B₂	3760	3416	5.85	119.31	0.75	0.86
6	B₂	442	401	163.99	0.48	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	-1.409
N2	0.000	0.334
H3	0.794	0.945
H4	-0.794	0.945

	Li1	N2	H3	H4
Li1		1.7429	2.4839	2.4839
N2	1.7429		1.0016	1.0016
H3	2.4839	1.0016		1.5876
H4	2.4839	1.0016	1.5876

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	N2	H3	127.574		Li1	N2	H4	127.574
H3	N2	H4	104.852

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

using model chemistry: HF/TZVP

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	0.674
2	N	-1.025
3	H	0.175
4	H	0.175

	x	y	z	Total
	0.000	0.000	-5.035	5.035
CHELPG
AIM
ESP

<r²>	13.930
(<r²>)^1/2	3.732

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

using model chemistry: HF/TZVP

States and conformations

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