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	hartrees
Energy at 0K	-47.240136
Energy at 298.15K	-47.241646
HF Energy	-47.023578
Nuclear repulsion energy	16.157039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2944	2944
2	A₁	1097	1097
3	A₁	692	692
4	E	3021	3021
4	E	3020	3020
5	E	1414	1414
5	E	1413	1413
6	E	98	98
6	E	98	98

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	-0.889	-0.513	0.811
H5	0.889	-0.513	0.811

	Li1	C2	H3	H4	H5
Li1		1.9570	2.5974	2.5974	2.5974
C2	1.9570		1.1124	1.1124	1.1124
H3	2.5974	1.1124		1.7776	1.7776
H4	2.5974	1.1124	1.7776		1.7776
H5	2.5974	1.1124	1.7776	1.7776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Li1	C2	H3	112.685	Li1	C2	H4	112.685
Li1	C2	H5	112.685	H3	C2	H4	106.075
H3	C2	H5	106.075	H4	C2	H5	106.075

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

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

States and conformations

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