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	hartrees
Energy at 0K	-40.262641
Energy at 298.15K
HF Energy	-40.262641
Nuclear repulsion energy	13.429095

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.000	0.000	-1.091
H3	0.000	1.028	0.364
H4	-0.890	-0.514	0.364
H5	0.890	-0.514	0.364

	C1	H2	H3	H4	H5
C1		1.0909	1.0904	1.0904	1.0904
H2	1.0909		1.7810	1.7810	1.7810
H3	1.0904	1.7810		1.7806	1.7806
H4	1.0904	1.7810	1.7806		1.7806
H5	1.0904	1.7810	1.7806	1.7806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	D3	109.471	H2	C1	D4	109.471
H2	C1	D5	109.471	D3	C1	D4	109.471
D3	C1	D5	109.471	D4	C1	D5	109.471

Number	Element	Mulliken
1	C	-0.829
2	H	0.207
3	H	0.207
4	H	0.207
5	H	0.207

All results from a given calculation for CHD₃ (methane-d3)

using model chemistry: B1B95/3-21G

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>	9.885
(<r²>)^1/2	3.144

All results from a given calculation for CHD3 (methane-d3)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for CHD₃ (methane-d3)