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	hartrees
Energy at 0K	-40.448012
Energy at 298.15K
HF Energy	-40.448012
Nuclear repulsion energy	13.275604

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.000	0.000	-1.103
H3	0.000	1.040	0.368
H4	-0.901	-0.520	0.368
H5	0.901	-0.520	0.368

	C1	H2	H3	H4	H5
C1		1.1033	1.1030	1.1030	1.1030
H2	1.1033		1.8015	1.8015	1.8015
H3	1.1030	1.8015		1.8013	1.8013
H4	1.1030	1.8015	1.8013		1.8013
H5	1.1030	1.8015	1.8013	1.8013

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	0.919
2	H	-0.229
3	H	-0.230
4	H	-0.230
5	H	-0.230

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

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>	10.214
(<r²>)^1/2	3.196

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

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