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	hartrees
Energy at 0K	-46.476277
Energy at 298.15K	-46.478781
Nuclear repulsion energy	16.156132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3272	2930	34.81
2	A₁	1281	1147	41.19
3	A₁	651	583	2.94
4	E	3421	3064	15.84
4	E	3421	3064	15.84
5	E	1636	1465	12.08
5	E	1636	1465	12.08
6	E	595	533	349.24
6	E	595	533	349.30

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.602
C2	0.000	0.000	0.397
H3	0.000	1.018	0.809
H4	-0.882	-0.509	0.809
H5	0.882	-0.509	0.809

	Li1	C2	H3	H4	H5
Li1		1.9987	2.6173	2.6173	2.6173
C2	1.9987		1.0986	1.0986	1.0986
H3	2.6173	1.0986		1.7636	1.7636
H4	2.6173	1.0986	1.7636		1.7636
H5	2.6173	1.0986	1.7636	1.7636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.053	Li1	C2	H4	112.053
Li1	C2	H5	112.053	H3	C2	H4	106.771
H3	C2	H5	106.771	H4	C2	H5	106.771

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

using model chemistry: LSDA/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	0.087
2	C	-0.320
3	H	0.078
4	H	0.078
5	H	0.078

	x	y	z	Total
	0.000	0.000	-3.315	3.315
CHELPG
AIM
ESP

<r²>	18.652
(<r²>)^1/2	4.319

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

using model chemistry: LSDA/STO-3G

States and conformations

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