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	hartrees
Energy at 0K	-63.058632
Energy at 298.15K
HF Energy	-63.058632
Nuclear repulsion energy	15.327509

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	3726	3369	2.03	142.08	0.16	0.27
2	A₁	1693	1531	47.25	6.29	0.21	0.34
3	A₁	831	752	146.23	8.00	0.08	0.15
4	B₁	481	435	251.02	37.78	0.75	0.86
5	B₂	3797	3433	1.42	105.84	0.75	0.86
6	B₂	458	414	166.10	0.29	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	-1.417
N2	0.000	0.337
H3	0.797	0.946
H4	-0.797	0.946

	Li1	N2	H3	H4
Li1		1.7537	2.4934	2.4934
N2	1.7537		1.0031	1.0031
H3	2.4934	1.0031		1.5945
H4	2.4934	1.0031	1.5945

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	N2	H3	127.364		Li1	N2	H4	127.364
H3	N2	H4	105.272

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

using model chemistry: HF/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	0.473
2	N	-0.992
3	H	0.259
4	H	0.259

	x	y	z	Total
	0.000	0.000	-5.044	5.044
CHELPG
AIM
ESP

<r²>	14.236
(<r²>)^1/2	3.773

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

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

States and conformations

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