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	hartrees
Energy at 0K	-63.389484
Energy at 298.15K
HF Energy	-63.389484
Nuclear repulsion energy	15.243342

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	3552	3393	1.58	164.14	0.06	0.12
2	A₁	1570	1500	38.73	12.56	0.04	0.07
3	A₁	821	784	129.33	32.47	0.09	0.16
4	B₁	422	403	165.45	131.05	0.75	0.86
5	B₂	3636	3474	0.30	98.24	0.75	0.86
6	B₂	434	415	154.86	0.47	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	-1.415
N2	0.000	0.334
H3	0.805	0.954
H4	-0.805	0.954

	Li1	N2	H3	H4
Li1		1.7491	2.5022	2.5022
N2	1.7491		1.0159	1.0159
H3	2.5022	1.0159		1.6095
H4	2.5022	1.0159	1.6095

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	N2	H3	127.616		Li1	N2	H4	127.616
H3	N2	H4	104.769

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

using model chemistry: PBE1PBE/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	0.406
2	N	-0.931
3	H	0.263
4	H	0.263

	x	y	z	Total
	0.000	0.000	-4.781	4.781
CHELPG
AIM
ESP

<r²>	14.533
(<r²>)^1/2	3.812

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

using model chemistry: PBE1PBE/6-31+G**

States and conformations

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