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	hartrees
Energy at 0K	-499.562039
Energy at 298.15K	-499.559949
HF Energy	-499.154960
Nuclear repulsion energy	51.568035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2227	2115	15.25
2	A₁	1058	1005	14.58
3	A₁	733	696	16.76
4	E	2396	2275	1.21
4	E	2396	2275	1.21
5	E	1090	1035	2.95
5	E	1090	1035	2.95
6	E	786	747	0.35
6	E	786	747	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.121
Cl2	0.000	0.000	0.654
H3	0.000	1.027	-1.464
H4	0.889	-0.513	-1.464
H5	-0.889	-0.513	-1.464

	C1	Cl2	H3	H4	H5
C1		1.7749	1.0827	1.0827	1.0827
Cl2	1.7749		2.3537	2.3537	2.3537
H3	1.0827	2.3537		1.7787	1.7787
H4	1.0827	2.3537	1.7787		1.7787
H5	1.0827	2.3537	1.7787	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	D3	108.469	Cl2	C1	D4	108.469
Cl2	C1	D5	108.469	D3	C1	D4	110.454
D3	C1	D5	110.454	D4	C1	D5	110.454

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

using model chemistry: MP2/aug-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: MP2/aug-cc-pVQZ

States and conformations

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