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	hartrees
Energy at 0K	-46.864369
Energy at 298.15K	-46.866898
HF Energy	-46.752181
Nuclear repulsion energy	16.024660

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2975	2771	83.61
2	A₁	1217	1134	24.12
3	A₁	641	597	11.47
4	E	3040	2832	53.45
4	E	3040	2832	53.45
5	E	1563	1456	6.46
5	E	1563	1456	6.46
6	E	524	489	269.25
6	E	524	489	269.25

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.622
C2	0.000	0.000	0.404
H3	0.000	1.025	0.813
H4	-0.888	-0.513	0.813
H5	0.888	-0.513	0.813

	Li1	C2	H3	H4	H5
Li1		2.0267	2.6428	2.6428	2.6428
C2	2.0267		1.1039	1.1039	1.1039
H3	2.6428	1.1039		1.7759	1.7759
H4	2.6428	1.1039	1.7759		1.7759
H5	2.6428	1.1039	1.7759	1.7759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	111.749	Li1	C2	H4	111.749
Li1	C2	H5	111.749	H3	C2	H4	107.101
H3	C2	H5	107.101	H4	C2	H5	107.101

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

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

using model chemistry: CID/3-21G

States and conformations

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