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	hartrees
Energy at 0K	-499.614866
Energy at 298.15K	-499.612763
HF Energy	-499.147864
Nuclear repulsion energy	51.348340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2219	2126
2	A₁	1055	1010
3	A₁	714	684
4	E	2364	2265
4	E	2364	2265
5	E	1090	1044
5	E	1090	1044
6	E	778	745
6	E	777	745

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.128
Cl2	0.000	0.000	0.658
H3	0.000	1.026	-1.471
H4	0.889	-0.513	-1.471
H5	-0.889	-0.513	-1.471

	C1	Cl2	H3	H4	H5
C1		1.7855	1.0822	1.0822	1.0822
Cl2	1.7855		2.3629	2.3629	2.3629
H3	1.0822	2.3629		1.7778	1.7778
H4	1.0822	2.3629	1.7778		1.7778
H5	1.0822	2.3629	1.7778	1.7778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	D3	108.472	Cl2	C1	D4	108.472
Cl2	C1	D5	108.472	D3	C1	D4	110.451
D3	C1	D5	110.451	D4	C1	D5	110.451

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

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

using model chemistry: CCSD(T)=FULL/cc-pVTZ

States and conformations

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