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	hartrees
Energy at 0K	-62.506343
Energy at 298.15K
HF Energy	-62.477836
Nuclear repulsion energy	15.409645

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	3608	3608	20.26	200.81	0.01	0.02
2	A₁	1827	1827	2.03	25.04	0.75	0.86
3	A₁	1026	1026	23.07	78.53	0.08	0.14
4	B₁	681	681	18.49	31.90	0.75	0.86
5	B₂	3753	3753	6.88	87.21	0.75	0.86
6	B₂	398	398	194.85	0.00	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	-1.349
N2	0.000	0.303
H3	0.814	0.964
H4	-0.814	0.964

	Li1	N2	H3	H4
Li1		1.6515	2.4524	2.4524
N2	1.6515		1.0492	1.0492
H3	2.4524	1.0492		1.6283
H4	2.4524	1.0492	1.6283

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	N2	H3	129.104		Li1	N2	H4	129.104
H3	N2	H4	101.791

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

using model chemistry: B2PLYP/STO-3G

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	0.104
2	N	-0.385
3	H	0.140
4	H	0.140

	x	y	z	Total
	0.000	0.000	-1.360	1.360
CHELPG
AIM
ESP

<r²>	14.175
(<r²>)^1/2	3.765

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

using model chemistry: B2PLYP/STO-3G

States and conformations

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