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	hartrees
Energy at 0K	-47.239359
Energy at 298.15K	-47.240877
HF Energy	-47.023607
Nuclear repulsion energy	16.160133

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2953	2953
2	A₁	1097	1097
3	A₁	692	692
4	E	3034	3034
4	E	3033	3033
5	E	1415	1415
5	E	1414	1414
6	E	100	100
6	E	100	100

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.575
C2	0.000	0.000	0.382
H3	0.000	1.026	0.811
H4	-0.888	-0.513	0.811
H5	0.888	-0.513	0.811

	Li1	C2	H3	H4	H5
Li1		1.9576	2.5974	2.5974	2.5974
C2	1.9576		1.1118	1.1118	1.1118
H3	2.5974	1.1118		1.7768	1.7768
H4	2.5974	1.1118	1.7768		1.7768
H5	2.5974	1.1118	1.7768	1.7768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.678	Li1	C2	H4	112.678
Li1	C2	H5	112.678	H3	C2	H4	106.083
H3	C2	H5	106.083	H4	C2	H5	106.083

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

using model chemistry: MP4=FULL/daug-cc-pVDZ

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: MP4=FULL/daug-cc-pVDZ

States and conformations

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