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	hartrees
Energy at 0K	-499.382930
Energy at 298.15K	-499.385911
HF Energy	-499.092784
Nuclear repulsion energy	51.200403

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3117	2943	23.35
2	A₁	1452	1371	15.64
3	A₁	767	725	23.61
4	E	3218	3039	8.00
4	E	3218	3039	8.00
5	E	1531	1446	5.53
5	E	1531	1446	5.53
6	E	1074	1014	3.56
6	E	1074	1014	3.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.129
Cl2	0.000	0.000	0.659
H3	0.000	1.034	-1.479
H4	0.895	-0.517	-1.479
H5	-0.895	-0.517	-1.479

	C1	Cl2	H3	H4	H5
C1		1.7879	1.0913	1.0913	1.0913
Cl2	1.7879		2.3749	2.3749	2.3749
H3	1.0913	2.3749		1.7901	1.7901
H4	1.0913	2.3749	1.7901		1.7901
H5	1.0913	2.3749	1.7901	1.7901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.728	Cl2	C1	H4	108.728
Cl2	C1	H5	108.728	H3	C1	H4	110.204
H3	C1	H5	110.204	H4	C1	H5	110.204

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

using model chemistry: CCSD/6-31G*

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: CCSD/6-31G*

States and conformations

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