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	hartrees
Energy at 0K	-63.447427
Energy at 298.15K
HF Energy	-63.447427
Nuclear repulsion energy	15.166060

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	3387	3360	4.92	393.00	0.01	0.01
2	A₁	1535	1523	10.08	17.78	0.53	0.70
3	A₁	838	831	45.89	770.31	0.19	0.32
4	B₁	340	337	32.31	1731.99	0.75	0.86
5	B₂	3464	3437	7.16	167.88	0.75	0.86
6	B₂	406	403	117.61	0.33	0.75	0.86

Atom	y (Å)	z (Å)
Li1	0.000	-1.415
N2	0.000	0.332
H3	0.812	0.960
H4	-0.812	0.960

	Li1	N2	H3	H4
Li1		1.7479	2.5104	2.5104
N2	1.7479		1.0264	1.0264
H3	2.5104	1.0264		1.6246
H4	2.5104	1.0264	1.6246

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	N2	H3	127.684		Li1	N2	H4	127.684
H3	N2	H4	104.632

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

using model chemistry: BLYP/6-31G**

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	0.354
2	N	-0.737
3	H	0.191
4	H	0.191

	x	y	z	Total
	0.000	0.000	-3.678	3.678
CHELPG
AIM
ESP

<r²>	15.057
(<r²>)^1/2	3.880

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

using model chemistry: BLYP/6-31G**

States and conformations

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