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	hartrees
Energy at 0K	-47.290974
Energy at 298.15K	-47.293507
HF Energy	-47.255203
Nuclear repulsion energy	16.161707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3001	3001	82.38
2	A₁	1156	1156	22.54
3	A₁	637	637	7.63
4	E	3086	3086	48.61
4	E	3086	3086	48.60
5	E	1517	1517	5.79
5	E	1517	1517	5.80
6	E	538	538	254.77
6	E	538	538	254.80

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.592
C2	0.000	0.000	0.398
H3	0.000	1.027	0.795
H4	-0.889	-0.514	0.795
H5	0.889	-0.514	0.795

	Li1	C2	H3	H4	H5
Li1		1.9905	2.5988	2.5988	2.5988
C2	1.9905		1.1010	1.1010	1.1010
H3	2.5988	1.1010		1.7789	1.7789
H4	2.5988	1.1010	1.7789		1.7789
H5	2.5988	1.1010	1.7789	1.7789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	111.125	Li1	C2	H4	111.125
Li1	C2	H5	111.125	H3	C2	H4	107.768
H3	C2	H5	107.768	H4	C2	H5	107.768

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CH3Li (methyl lithium)

using model chemistry: B2PLYP=FULL/6-31G

States and conformations

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