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	hartrees
Energy at 0K	-499.473566
Energy at 298.15K	-499.476515
HF Energy	-499.121760
Nuclear repulsion energy	50.721528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3073	2997
2	A₁	1359	1325
3	A₁	726	708
4	E	3187	3108
4	E	3187	3108
5	E	1465	1428
5	E	1464	1428
6	E	1019	994
6	E	1019	994

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.142
Cl2	0.000	0.000	0.665
H3	0.000	1.044	-1.484
H4	0.904	-0.522	-1.484
H5	-0.904	-0.522	-1.484

	C1	Cl2	H3	H4	H5
C1		1.8067	1.0984	1.0984	1.0984
Cl2	1.8067		2.3890	2.3890	2.3890
H3	1.0984	2.3890		1.8078	1.8078
H4	1.0984	2.3890	1.8078		1.8078
H5	1.0984	2.3890	1.8078	1.8078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.153	Cl2	C1	H4	108.153
Cl2	C1	H5	108.153	H3	C1	H4	110.756
H3	C1	H5	110.756	H4	C1	H5	110.756

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

using model chemistry: MP4=FULL/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: MP4=FULL/aug-cc-pVDZ

States and conformations

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