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	hartrees
Energy at 0K	-499.436522
Energy at 298.15K	-499.439503
HF Energy	-499.118337
Nuclear repulsion energy	51.064367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3101	3101	24.44
2	A₁	1398	1398	16.59
3	A₁	770	770	22.38
4	E	3213	3213	7.72
4	E	3213	3213	7.72
5	E	1489	1489	4.45
5	E	1489	1489	4.45
6	E	1039	1039	2.45
6	E	1039	1039	2.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.128
Cl2	0.000	0.000	0.660
H3	0.000	1.040	-1.483
H4	0.901	-0.520	-1.483
H5	-0.901	-0.520	-1.483

	C1	Cl2	H3	H4	H5
C1		1.7881	1.0991	1.0991	1.0991
Cl2	1.7881		2.3817	2.3817	2.3817
H3	1.0991	2.3817		1.8021	1.8021
H4	1.0991	2.3817	1.8021		1.8021
H5	1.0991	2.3817	1.8021	1.8021

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.804	Cl2	C1	H4	108.804
Cl2	C1	H5	108.804	H3	C1	H4	110.130
H3	C1	H5	110.130	H4	C1	H5	110.130

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

using model chemistry: CCD/cc-pCVDZ

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: CCD/cc-pCVDZ

States and conformations

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