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	hartrees
Energy at 0K	-499.433168
Energy at 298.15K	-499.431060
HF Energy	-499.117386
Nuclear repulsion energy	50.945773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2217	2101	17.97
2	A₁	1054	998	20.36
3	A₁	718	680	16.44
4	E	2383	2257	4.46
4	E	2383	2257	4.46
5	E	1075	1019	2.23
5	E	1075	1019	2.23
6	E	777	736	0.49
6	E	777	736	0.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.132
Cl2	0.000	0.000	0.662
H3	0.000	1.042	-1.485
H4	0.902	-0.521	-1.485
H5	-0.902	-0.521	-1.485

	C1	Cl2	H3	H4	H5
C1		1.7936	1.0999	1.0999	1.0999
Cl2	1.7936		2.3856	2.3856	2.3856
H3	1.0999	2.3856		1.8047	1.8047
H4	1.0999	2.3856	1.8047		1.8047
H5	1.0999	2.3856	1.8047	1.8047

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	D3	108.687	Cl2	C1	D4	108.687
Cl2	C1	D5	108.687	D3	C1	D4	110.244
D3	C1	D5	110.244	D4	C1	D5	110.244

All results from a given calculation for CD₃Cl (methyl chloride d3)

using model chemistry: CCSD/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 CD3Cl (methyl chloride d3)

using model chemistry: CCSD/cc-pVDZ

States and conformations

All results from a given calculation for CD₃Cl (methyl chloride d3)