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	hartrees
Energy at 0K	-499.439297
Energy at 298.15K
HF Energy	-499.119137
Nuclear repulsion energy	51.112496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3096	3096	25.84
2	A₁	1393	1393	17.18
3	A₁	761	761	23.86
4	E	3204	3204	8.18
4	E	3204	3204	8.18
5	E	1485	1485	4.33
5	E	1485	1485	4.33
6	E	1036	1036	2.42
6	E	1036	1036	2.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.126
Cl2	0.000	0.000	0.659
H3	0.000	1.041	-1.482
H4	0.902	-0.521	-1.482
H5	-0.902	-0.521	-1.482

	C1	Cl2	H3	H4	H5
C1		1.7851	1.1002	1.1002	1.1002
Cl2	1.7851		2.3804	2.3804	2.3804
H3	1.1002	2.3804		1.8034	1.8034
H4	1.1002	2.3804	1.8034		1.8034
H5	1.1002	2.3804	1.8034	1.8034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.850	Cl2	C1	H4	108.850
Cl2	C1	H5	108.850	H3	C1	H4	110.085
H3	C1	H5	110.085	H4	C1	H5	110.085

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

using model chemistry: CCSD/cc-pV(D+d)Z

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/cc-pV(D+d)Z

States and conformations

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