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	hartrees
Energy at 0K	-7.885373
Energy at 298.15K
HF Energy	-7.797276
Nuclear repulsion energy	9.388480

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.000	0.000	-1.109
H3	0.000	1.045	0.370
H4	-0.905	-0.523	0.370
H5	0.905	-0.523	0.370

	C1	H2	H3	H4	H5
C1		1.1094	1.1088	1.1088	1.1088
H2	1.1094		1.8111	1.8111	1.8111
H3	1.1088	1.8111		1.8106	1.8106
H4	1.1088	1.8111	1.8106		1.8106
H5	1.1088	1.8111	1.8106	1.8106

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
D2	C1	H3	109.471	D2	C1	H4	109.471
D2	C1	H5	109.471	H3	C1	H4	109.471
H3	C1	H5	109.471	H4	C1	H5	109.471

All results from a given calculation for CH₃D (methane-d)

using model chemistry: MP2/CEP-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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All results from a given calculation for CH3D (methane-d)

using model chemistry: MP2/CEP-31G

States and conformations

All results from a given calculation for CH₃D (methane-d)