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	hartrees
Energy at 0K	-499.513596
Energy at 298.15K	-499.516586
HF Energy	-499.147895
Nuclear repulsion energy	51.511391

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3158	2936	23.46
2	A₁	1433	1332	14.44
3	A₁	773	719	27.17
4	E	3259	3030	5.55
4	E	3259	3030	5.55
5	E	1536	1429	5.32
5	E	1536	1429	5.32
6	E	1066	991	2.12
6	E	1066	991	2.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.124
Cl2	0.000	0.000	0.655
H3	0.000	1.024	-1.467
H4	0.886	-0.512	-1.467
H5	-0.886	-0.512	-1.467

	C1	Cl2	H3	H4	H5
C1		1.7791	1.0796	1.0796	1.0796
Cl2	1.7791		2.3563	2.3563	2.3563
H3	1.0796	2.3563		1.7730	1.7730
H4	1.0796	2.3563	1.7730		1.7730
H5	1.0796	2.3563	1.7730	1.7730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.537	Cl2	C1	H4	108.537
Cl2	C1	H5	108.537	H3	C1	H4	110.389
H3	C1	H5	110.389	H4	C1	H5	110.389

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

using model chemistry: CISD/cc-pVTZ

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: CISD/cc-pVTZ

States and conformations

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