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	hartrees
Energy at 0K	-499.453648
Energy at 298.15K	-499.451574
HF Energy	-499.130450
Nuclear repulsion energy	51.327797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2224	2124	19.43
2	A₁	1099	1050	21.90
3	A₁	738	705	15.35
4	E	2380	2273	5.46
4	E	2380	2273	5.46
5	E	1084	1035	2.11
5	E	1084	1035	2.11
6	E	801	765	1.28
6	E	801	765	1.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.124
Cl2	0.000	0.000	0.657
H3	0.000	1.031	-1.477
H4	0.893	-0.515	-1.477
H5	-0.893	-0.515	-1.477

	C1	Cl2	H3	H4	H5
C1		1.7809	1.0895	1.0895	1.0895
Cl2	1.7809		2.3698	2.3698	2.3698
H3	1.0895	2.3698		1.7853	1.7853
H4	1.0895	2.3698	1.7853		1.7853
H5	1.0895	2.3698	1.7853	1.7853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	D3	108.904	Cl2	C1	D4	108.904
Cl2	C1	D5	108.904	D3	C1	D4	110.033
D3	C1	D5	110.033	D4	C1	D5	110.033

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

using model chemistry: CCD/6-311G**

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: CCD/6-311G**

States and conformations

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