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	hartrees
Energy at 0K	-63.481590
Energy at 298.15K
HF Energy	-63.481590
Nuclear repulsion energy	15.365463

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	3533	3533	1.94	176.22	0.06	0.10
2	A₁	1563	1563	28.29	6.58	0.10	0.18
3	A₁	830	830	125.13	51.67	0.04	0.08
4	B₁	420	420	106.61	78.06	0.75	0.86
5	B₂	3601	3601	0.56	84.78	0.75	0.86
6	B₂	387	387	103.62	0.91	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	-1.399
N2	0.000	0.328
H3	0.799	0.950
H4	-0.799	0.950

	Li1	N2	H3	H4
Li1		1.7269	2.4808	2.4808
N2	1.7269		1.0122	1.0122
H3	2.4808	1.0122		1.5973
H4	2.4808	1.0122	1.5973

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	N2	H3	127.909		Li1	N2	H4	127.909
H3	N2	H4	104.183

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

using model chemistry: mPW1PW91/daug-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	-0.116
2	N	-0.532
3	H	0.324
4	H	0.324

	x	y	z	Total
	0.000	0.000	-4.861	4.861
CHELPG
AIM
ESP

<r²>	14.315
(<r²>)^1/2	3.784

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

using model chemistry: mPW1PW91/daug-cc-pVTZ

States and conformations

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