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	hartrees
Energy at 0K	-499.396409
Energy at 298.15K	-499.399390
HF Energy	-499.092803
Nuclear repulsion energy	51.232971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3118	2961	23.33
2	A₁	1453	1380	15.31
3	A₁	768	729	23.38
4	E	3219	3057	7.89
4	E	3219	3057	7.89
5	E	1532	1455	5.60
5	E	1532	1455	5.60
6	E	1075	1021	3.63
6	E	1075	1021	3.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.128
Cl2	0.000	0.000	0.659
H3	0.000	1.033	-1.478
H4	0.895	-0.517	-1.478
H5	-0.895	-0.517	-1.478

	C1	Cl2	H3	H4	H5
C1		1.7866	1.0909	1.0909	1.0909
Cl2	1.7866		2.3736	2.3736	2.3736
H3	1.0909	2.3736		1.7895	1.7895
H4	1.0909	2.3736	1.7895		1.7895
H5	1.0909	2.3736	1.7895	1.7895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.732	Cl2	C1	H4	108.732
Cl2	C1	H5	108.732	H3	C1	H4	110.200
H3	C1	H5	110.200	H4	C1	H5	110.200

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

using model chemistry: CCSD=FULL/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=FULL/6-31G*

States and conformations

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