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	hartrees
Energy at 0K	-499.675269
Energy at 298.15K	-499.673180
HF Energy	-499.154725
Nuclear repulsion energy	51.555247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2229	2229	15.58
2	A₁	1065	1065	15.16
3	A₁	728	728	17.43
4	E	2389	2389	2.37
4	E	2389	2389	2.37
5	E	1096	1096	2.86
5	E	1096	1096	2.86
6	E	789	789	0.33
6	E	789	789	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.122
Cl2	0.000	0.000	0.655
H3	0.000	1.025	-1.465
H4	0.888	-0.512	-1.465
H5	-0.888	-0.512	-1.465

	C1	Cl2	H3	H4	H5
C1		1.7766	1.0806	1.0806	1.0806
Cl2	1.7766		2.3540	2.3540	2.3540
H3	1.0806	2.3540		1.7752	1.7752
H4	1.0806	2.3540	1.7752		1.7752
H5	1.0806	2.3540	1.7752	1.7752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	D3	108.479	Cl2	C1	D4	108.479
Cl2	C1	D5	108.479	D3	C1	D4	110.445
D3	C1	D5	110.445	D4	C1	D5	110.445

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

using model chemistry: CCSD=FULL/cc-pVQZ

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: CCSD=FULL/cc-pVQZ

States and conformations

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