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	hartrees
Energy at 0K	-63.466292
Energy at 298.15K
HF Energy	-63.466292
Nuclear repulsion energy	15.341226

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	3509	3379	4.15	180.73	0.15	0.27
2	A₁	1554	1497	23.73	26.67	0.35	0.52
3	A₁	841	810	83.68	108.88	0.10	0.19
4	B₁	416	401	112.38	137.87	0.75	0.86
5	B₂	3579	3447	5.14	145.21	0.75	0.86
6	B₂	383	369	128.77	0.44	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	-1.398
N2	0.000	0.328
H3	0.802	0.951
H4	-0.802	0.951

	Li1	N2	H3	H4
Li1		1.7258	2.4821	2.4821
N2	1.7258		1.0158	1.0158
H3	2.4821	1.0158		1.6045
H4	2.4821	1.0158	1.6045

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	N2	H3	127.837		Li1	N2	H4	127.837
H3	N2	H4	104.326

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

using model chemistry: B3PW91/6-311G**

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	0.429
2	N	-0.762
3	H	0.167
4	H	0.167

	x	y	z	Total
	0.000	0.000	-4.159	4.159
CHELPG
AIM
ESP

<r²>	14.389
(<r²>)^1/2	3.793

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

using model chemistry: B3PW91/6-311G**

States and conformations

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