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	hartrees
Energy at 0K	-499.453728
Energy at 298.15K	-499.456691
HF Energy	-499.121841
Nuclear repulsion energy	50.844405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3088	2979	24.59
2	A₁	1378	1329	14.49
3	A₁	747	720	25.28
4	E	3198	3084	5.51
4	E	3198	3084	5.51
5	E	1474	1422	4.46
5	E	1474	1422	4.46
6	E	1033	996	1.65
6	E	1033	996	1.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.138
Cl2	0.000	0.000	0.663
H3	0.000	1.042	-1.482
H4	0.903	-0.521	-1.482
H5	-0.903	-0.521	-1.482

	C1	Cl2	H3	H4	H5
C1		1.8009	1.0978	1.0978	1.0978
Cl2	1.8009		2.3848	2.3848	2.3848
H3	1.0978	2.3848		1.8056	1.8056
H4	1.0978	2.3848	1.8056		1.8056
H5	1.0978	2.3848	1.8056	1.8056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.264	Cl2	C1	H4	108.264
Cl2	C1	H5	108.264	H3	C1	H4	110.651
H3	C1	H5	110.651	H4	C1	H5	110.651

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

using model chemistry: CCD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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