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	hartrees
Energy at 0K	-499.465044
Energy at 298.15K	-499.462908
HF Energy	-499.121654
Nuclear repulsion energy	50.648794

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2190	2142
2	A₁	1022	1000
3	A₁	689	674
4	E	2356	2304
4	E	2356	2304
5	E	1058	1034
5	E	1058	1034
6	E	764	747
6	E	764	747

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.144
Cl2	0.000	0.000	0.666
H3	0.000	1.045	-1.485
H4	0.905	-0.523	-1.485
H5	-0.905	-0.523	-1.485

	C1	Cl2	H3	H4	H5
C1		1.8097	1.0996	1.0996	1.0996
Cl2	1.8097		2.3917	2.3917	2.3917
H3	1.0996	2.3917		1.8104	1.8104
H4	1.0996	2.3917	1.8104		1.8104
H5	1.0996	2.3917	1.8104	1.8104

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	D3	108.096	Cl2	C1	D4	108.096
Cl2	C1	D5	108.096	D3	C1	D4	110.811
D3	C1	D5	110.811	D4	C1	D5	110.811

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

using model chemistry: QCISD(T)/aug-cc-pVDZ

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: QCISD(T)/aug-cc-pVDZ

States and conformations

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