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	hartrees
Energy at 0K	-63.404691
Energy at 298.15K
HF Energy	-63.404691
Nuclear repulsion energy	15.278048

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	3409	3385	3.75	210.42	0.04	0.08
2	A₁	1514	1504	17.83	12.64	0.37	0.54
3	A₁	829	823	79.89	123.31	0.08	0.16
4	B₁	390	387	57.11	213.49	0.75	0.86
5	B₂	3481	3457	2.53	125.09	0.75	0.86
6	B₂	370	367	98.73	0.38	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	-1.401
N2	0.000	0.327
H3	0.805	0.957
H4	-0.805	0.957

	Li1	N2	H3	H4
Li1		1.7281	2.4922	2.4922
N2	1.7281		1.0226	1.0226
H3	2.4922	1.0226		1.6102
H4	2.4922	1.0226	1.6102

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	N2	H3	128.063		Li1	N2	H4	128.063
H3	N2	H4	103.873

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

using model chemistry: PBEPBEultrafine/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	0.139
2	N	-0.288
3	H	0.075
4	H	0.075

	x	y	z	Total
	0.000	0.000	-4.334	4.334
CHELPG
AIM
ESP

<r²>	14.632
(<r²>)^1/2	3.825

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

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

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