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	hartrees
Energy at 0K	-40.409585
Energy at 298.15K	-40.405774
HF Energy	-40.194874
Nuclear repulsion energy	13.479152

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.000	0.000	1.080
H3	0.000	1.018	-0.360
H4	0.882	-0.509	-0.360
H5	-0.882	-0.509	-0.360

	C1	H2	H3	H4	H5
C1		1.0800	1.0802	1.0802	1.0802
H2	1.0800		1.7638	1.7638	1.7638
H3	1.0802	1.7638		1.7639	1.7639
H4	1.0802	1.7638	1.7639		1.7639
H5	1.0802	1.7638	1.7639	1.7639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
D2	C1	H3	109.474	D2	C1	H4	109.474
D2	C1	H5	109.474	H3	C1	H4	109.468
H3	C1	H5	109.468	H4	C1	H5	109.468

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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