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	hartrees
Energy at 0K	-499.580335
Energy at 298.15K
HF Energy	-499.149890
Nuclear repulsion energy	51.269887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3074	3074
2	A₁	1391	1391
3	A₁	744	744
4	E	3180	3180
4	E	3180	3180
5	E	1501	1501
5	E	1500	1500
6	E	1039	1039
6	E	1039	1039

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.129
Cl2	0.000	0.000	0.658
H3	0.000	1.032	-1.470
H4	0.894	-0.516	-1.470
H5	-0.894	-0.516	-1.470

	C1	Cl2	H3	H4	H5
C1		1.7868	1.0869	1.0869	1.0869
Cl2	1.7868		2.3651	2.3651	2.3651
H3	1.0869	2.3651		1.7872	1.7872
H4	1.0869	2.3651	1.7872		1.7872
H5	1.0869	2.3651	1.7872	1.7872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	H3	108.304	Cl2	C1	H4	108.304
Cl2	C1	H5	108.304	H3	C1	H4	110.613
H3	C1	H5	110.613	H4	C1	H5	110.613

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

using model chemistry: MP4/aug-cc-pCVTZ

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/aug-cc-pCVTZ

States and conformations

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