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	hartrees
Energy at 0K	-499.688475
Energy at 298.15K	-499.691452
HF Energy	-499.118379
Nuclear repulsion energy	51.059243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3101	3101	25.04
2	A₁	1394	1394	17.15
3	A₁	761	761	23.75
4	E	3212	3212	7.72
4	E	3212	3212	7.72
5	E	1489	1489	4.47
5	E	1489	1489	4.48
6	E	1037	1037	2.46
6	E	1037	1037	2.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.129
Cl2	0.000	0.000	0.660
H3	0.000	1.040	-1.482
H4	0.901	-0.520	-1.482
H5	-0.901	-0.520	-1.482

	C1	Cl2	H3	H4	H5
C1		1.7889	1.0984	1.0984	1.0984
Cl2	1.7889		2.3813	2.3813	2.3813
H3	1.0984	2.3813		1.8015	1.8015
H4	1.0984	2.3813	1.8015		1.8015
H5	1.0984	2.3813	1.8015	1.8015

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.760	Cl2	C1	H4	108.760
Cl2	C1	H5	108.760	H3	C1	H4	110.173
H3	C1	H5	110.173	H4	C1	H5	110.173

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pCVDZ

States and conformations

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