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	hartrees
Energy at 0K	-499.549167
Energy at 298.15K	-499.547078
HF Energy	-499.147807
Nuclear repulsion energy	51.358007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2221	2074	16.08
2	A₁	1066	996	16.48
3	A₁	726	678	16.49
4	E	2381	2223	3.16
4	E	2381	2223	3.16
5	E	1092	1020	2.56
5	E	1092	1020	2.56
6	E	786	734	0.39
6	E	786	734	0.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.126
Cl2	0.000	0.000	0.657
H3	0.000	1.028	-1.471
H4	0.890	-0.514	-1.471
H5	-0.890	-0.514	-1.471

	C1	Cl2	H3	H4	H5
C1		1.7836	1.0841	1.0841	1.0841
Cl2	1.7836		2.3637	2.3637	2.3637
H3	1.0841	2.3637		1.7800	1.7800
H4	1.0841	2.3637	1.7800		1.7800
H5	1.0841	2.3637	1.7800	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	D3	108.558	Cl2	C1	D4	108.558
Cl2	C1	D5	108.558	D3	C1	D4	110.369
D3	C1	D5	110.369	D4	C1	D5	110.369

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

using model chemistry: CCD/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: CCD/cc-pVTZ

States and conformations

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