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	hartrees
Energy at 0K	-499.426279
Energy at 298.15K	-499.424207
HF Energy	-499.130479
Nuclear repulsion energy	51.437326

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2233	2122	19.19
2	A₁	1095	1040	21.15
3	A₁	743	706	15.71
4	E	2396	2276	4.06
4	E	2396	2276	4.06
5	E	1081	1028	2.46
5	E	1081	1028	2.46
6	E	802	762	1.60
6	E	802	762	1.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.121
Cl2	0.000	0.000	0.656
H3	0.000	1.029	-1.474
H4	0.891	-0.515	-1.474
H5	-0.891	-0.515	-1.474

	C1	Cl2	H3	H4	H5
C1		1.7765	1.0881	1.0881	1.0881
Cl2	1.7765		2.3655	2.3655	2.3655
H3	1.0881	2.3655		1.7825	1.7825
H4	1.0881	2.3655	1.7825		1.7825
H5	1.0881	2.3655	1.7825	1.7825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	D3	108.952	Cl2	C1	D4	108.952
Cl2	C1	D5	108.952	D3	C1	D4	109.985
D3	C1	D5	109.985	D4	C1	D5	109.985

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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