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	hartrees
Energy at 0K	-499.403153
Energy at 298.15K	-499.401056
HF Energy	-499.117486
Nuclear repulsion energy	51.140391

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2232	2126	17.57
2	A₁	1056	1006	19.31
3	A₁	735	700	15.59
4	E	2406	2292	3.08
4	E	2406	2292	3.08
5	E	1076	1025	2.64
5	E	1076	1025	2.64
6	E	782	745	0.67
6	E	782	745	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.126
Cl2	0.000	0.000	0.659
H3	0.000	1.039	-1.480
H4	0.900	-0.520	-1.480
H5	-0.900	-0.520	-1.480

	C1	Cl2	H3	H4	H5
C1		1.7851	1.0981	1.0981	1.0981
Cl2	1.7851		2.3782	2.3782	2.3782
H3	1.0981	2.3782		1.8005	1.8005
H4	1.0981	2.3782	1.8005		1.8005
H5	1.0981	2.3782	1.8005	1.8005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	D3	108.802	Cl2	C1	D4	108.802
Cl2	C1	D5	108.802	D3	C1	D4	110.132
D3	C1	D5	110.132	D4	C1	D5	110.132

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

using model chemistry: MP2/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: MP2/cc-pVDZ

States and conformations

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