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	hartrees
Energy at 0K	-46.752481
Energy at 298.15K	-46.755053
HF Energy	-46.752481
Nuclear repulsion energy	16.191489

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3085	2785	83.70
2	A₁	1278	1154	0.01
3	A₁	685	618	26.28
4	E	3135	2830	82.99
4	E	3135	2830	82.99
5	E	1647	1487	3.16
5	E	1647	1487	3.16
6	E	536	484	231.57
6	E	536	484	231.57

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.603
C2	0.000	0.000	0.398
H3	0.000	1.015	0.807
H4	-0.879	-0.507	0.807
H5	0.879	-0.507	0.807

	Li1	C2	H3	H4	H5
Li1		2.0013	2.6147	2.6147	2.6147
C2	2.0013		1.0939	1.0939	1.0939
H3	2.6147	1.0939		1.7577	1.7577
H4	2.6147	1.0939	1.7577		1.7577
H5	2.6147	1.0939	1.7577	1.7577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	111.927	Li1	C2	H4	111.927
Li1	C2	H5	111.927	H3	C2	H4	106.907
H3	C2	H5	106.907	H4	C2	H5	106.907

All results from a given calculation for CH₃Li (methyl lithium)

using model chemistry: HF/3-21G*

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	0.481
2	C	-0.905
3	H	0.142
4	H	0.142
5	H	0.142

	x	y	z	Total
	0.000	0.000	-5.504	5.504
CHELPG
AIM
ESP

<r²>	18.637
(<r²>)^1/2	4.317

All results from a given calculation for CH3Li (methyl lithium)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for CH₃Li (methyl lithium)