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	hartrees
Energy at 0K	-40.214483
Energy at 298.15K
HF Energy	-40.214483
Nuclear repulsion energy	13.533930

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.000	0.000	1.075
H3	0.000	1.014	-0.358
H4	0.878	-0.507	-0.358
H5	-0.878	-0.507	-0.358

	C1	H2	H3	H4	H5
C1		1.0751	1.0752	1.0752	1.0752
H2	1.0751		1.7557	1.7557	1.7557
H3	1.0752	1.7557		1.7557	1.7557
H4	1.0752	1.7557	1.7557		1.7557
H5	1.0752	1.7557	1.7557	1.7557

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
D2	C1	H3	109.475	D2	C1	H4	109.475
D2	C1	H5	109.475	H3	C1	H4	109.468
H3	C1	H5	109.468	H4	C1	H5	109.468

Number	Element	Mulliken
1	C	-0.276
2	H	0.069
3	H	0.069
4	H	0.069
5	H	0.069

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

using model chemistry: HF/Def2TZVPP

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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<r²>	9.939
(<r²>)^1/2	3.153

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

using model chemistry: HF/Def2TZVPP

States and conformations

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