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	hartrees
Energy at 0K	-47.214198
Energy at 298.15K	-47.216533
HF Energy	-47.020639
Nuclear repulsion energy	15.952988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2967	2827
2	A₁	1087	1036
3	A₁	600	572
4	E	3044	2901
4	E	3044	2901
5	E	1440	1373
5	E	1440	1372
6	E	431	410
6	E	431	410

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.621
C2	0.000	0.000	0.397
H3	0.000	1.028	0.828
H4	-0.890	-0.514	0.828
H5	0.890	-0.514	0.828

	Li1	C2	H3	H4	H5
Li1		2.0178	2.6558	2.6558	2.6558
C2	2.0178		1.1144	1.1144	1.1144
H3	2.6558	1.1144		1.7800	1.7800
H4	2.6558	1.1144	1.7800		1.7800
H5	2.6558	1.1144	1.7800	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.757	Li1	C2	H4	112.757
Li1	C2	H5	112.757	H3	C2	H4	105.995
H3	C2	H5	105.995	H4	C2	H5	105.995

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

using model chemistry: QCISD(T)/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: QCISD(T)/cc-pVDZ

States and conformations

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