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	hartrees
Energy at 0K	-499.097899
Energy at 298.15K	-499.095876
HF Energy	-499.097899
Nuclear repulsion energy	51.422949

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2318	2092	24.60
2	A₁	1149	1037	31.96
3	A₁	746	673	35.12
4	E	2488	2245	5.76
4	E	2488	2245	5.76
5	E	1168	1054	2.57
5	E	1168	1054	2.57
6	E	848	765	0.40
6	E	848	765	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	1.023	-1.468
H4	0.886	-0.512	-1.468
H5	-0.886	-0.512	-1.468

	C1	Cl2	H3	H4	H5
C1		1.7843	1.0783	1.0783	1.0783
Cl2	1.7843		2.3585	2.3585	2.3585
H3	1.0783	2.3585		1.7720	1.7720
H4	1.0783	2.3585	1.7720		1.7720
H5	1.0783	2.3585	1.7720	1.7720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	D3	108.425	Cl2	C1	D4	108.425
Cl2	C1	D5	108.425	D3	C1	D4	110.497
D3	C1	D5	110.497	D4	C1	D5	110.497

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	-0.394
2	Cl	-0.111
3	H	0.169
4	H	0.169
5	H	0.169

	x	y	z	Total
	0.000	0.000	-2.253	2.253
CHELPG
AIM
ESP

<r²>	36.678
(<r²>)^1/2	6.056

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)