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	hartrees
Energy at 0K	-499.496957
Energy at 298.15K
HF Energy	-499.119199
Nuclear repulsion energy	51.167538

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3102	3102	25.83
2	A₁	1395	1395	16.96
3	A₁	762	762	23.75
4	E	3211	3211	8.03
4	E	3211	3211	8.03
5	E	1487	1487	4.40
5	E	1487	1487	4.40
6	E	1037	1037	2.46
6	E	1037	1037	2.46

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.125
Cl2	0.000	0.000	0.658
H3	0.000	1.040	-1.480
H4	0.901	-0.520	-1.480
H5	-0.901	-0.520	-1.480

	C1	Cl2	H3	H4	H5
C1		1.7830	1.0992	1.0992	1.0992
Cl2	1.7830		2.3780	2.3780	2.3780
H3	1.0992	2.3780		1.8016	1.8016
H4	1.0992	2.3780	1.8016		1.8016
H5	1.0992	2.3780	1.8016	1.8016

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.868	Cl2	C1	H4	108.868
Cl2	C1	H5	108.868	H3	C1	H4	110.068
H3	C1	H5	110.068	H4	C1	H5	110.068

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

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

States and conformations

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