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	hartrees
Energy at 0K	-499.501148
Energy at 298.15K	-499.504145
HF Energy	-499.140458
Nuclear repulsion energy	51.647218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3161	2921	23.10
2	A₁	1446	1336	12.94
3	A₁	785	725	26.99
4	E	3262	3014	3.84
4	E	3262	3014	3.84
5	E	1545	1428	5.88
5	E	1545	1428	5.88
6	E	1076	995	1.95
6	E	1076	995	1.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.119
Cl2	0.000	0.000	0.653
H3	0.000	1.024	-1.464
H4	0.886	-0.512	-1.464
H5	-0.886	-0.512	-1.464

	C1	Cl2	H3	H4	H5
C1		1.7724	1.0799	1.0799	1.0799
Cl2	1.7724		2.3513	2.3513	2.3513
H3	1.0799	2.3513		1.7729	1.7729
H4	1.0799	2.3513	1.7729		1.7729
H5	1.0799	2.3513	1.7729	1.7729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.595	Cl2	C1	H4	108.595
Cl2	C1	H5	108.595	H3	C1	H4	110.333
H3	C1	H5	110.333	H4	C1	H5	110.333

All results from a given calculation for CH₃Cl (Methyl chloride)

using model chemistry: CID/6-311+G(3df,2p)

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 CH3Cl (Methyl chloride)

using model chemistry: CID/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CH₃Cl (Methyl chloride)