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	hartrees
Energy at 0K	-499.093152
Energy at 298.15K	-499.091133
HF Energy	-499.093152
Nuclear repulsion energy	51.431628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2336	2099	25.13
2	A₁	1162	1044	33.89
3	A₁	748	672	35.03
4	E	2504	2250	5.88
4	E	2504	2250	5.88
5	E	1180	1060	2.37
5	E	1180	1060	2.37
6	E	854	767	0.40
6	E	854	767	0.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.127
Cl2	0.000	0.000	0.657
H3	0.000	1.022	-1.469
H4	0.885	-0.511	-1.469
H5	-0.885	-0.511	-1.469

	C1	Cl2	H3	H4	H5
C1		1.7839	1.0780	1.0780	1.0780
Cl2	1.7839		2.3587	2.3587	2.3587
H3	1.0780	2.3587		1.7709	1.7709
H4	1.0780	2.3587	1.7709		1.7709
H5	1.0780	2.3587	1.7709	1.7709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	D3	108.481	Cl2	C1	D4	108.481
Cl2	C1	D5	108.481	D3	C1	D4	110.443
D3	C1	D5	110.443	D4	C1	D5	110.443

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

using model chemistry: HF/6-31G*

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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Number	Element	Mulliken
1	C	-0.536
2	Cl	-0.109
3	H	0.215
4	H	0.215
5	H	0.215

	x	y	z	Total
	0.000	0.000	-2.243	2.243
CHELPG
AIM
ESP

<r²>	36.683
(<r²>)^1/2	6.057

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

using model chemistry: HF/6-31G*

States and conformations

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