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	hartrees
Energy at 0K	-40.413667
Energy at 298.15K	-40.409830
HF Energy	-40.195172
Nuclear repulsion energy	13.513482

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.000	0.000	-1.090
H3	0.000	1.027	0.363
H4	-0.890	-0.514	0.363
H5	0.890	-0.514	0.363

	C1	H2	H3	H4	H5
C1		1.0898	1.0897	1.0897	1.0897
H2	1.0898		1.7796	1.7796	1.7796
H3	1.0897	1.7796		1.7794	1.7794
H4	1.0897	1.7796	1.7794		1.7794
H5	1.0897	1.7796	1.7794	1.7794

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: G2

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: G2

States and conformations

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