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	hartrees
Energy at 0K	-63.045717
Energy at 298.15K
HF Energy	-63.045717
Nuclear repulsion energy	15.324371

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	3676	3310	15.54	161.54	0.21	0.34
2	A₁	1725	1553	51.86	9.52	0.50	0.67
3	A₁	857	772	102.31	10.61	0.08	0.14
4	B₁	639	575	372.76	29.21	0.75	0.86
5	B₂	3766	3391	6.19	143.40	0.75	0.86
6	B₂	496	447	194.13	0.13	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	-1.408
N2	0.000	0.336
H3	0.812	0.934
H4	-0.812	0.934

	Li1	N2	H3	H4
Li1		1.7441	2.4790	2.4790
N2	1.7441		1.0085	1.0085
H3	2.4790	1.0085		1.6239
H4	2.4790	1.0085	1.6239

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	N2	H3	126.377		Li1	N2	H4	126.377
H3	N2	H4	107.246

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

using model chemistry: HF/SDD

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	0.680
2	N	-1.227
3	H	0.273
4	H	0.273

	x	y	z	Total
	0.000	0.000	-4.736	4.736
CHELPG
AIM
ESP

<r²>	14.117
(<r²>)^1/2	3.757

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

using model chemistry: HF/SDD

States and conformations

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