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	hartrees
Energy at 0K	-40.464373
Energy at 298.15K
HF Energy	-40.464373
Nuclear repulsion energy	13.361682

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
H2	C1	D3	109.474	H2	C1	D4	109.474
H2	C1	D5	109.474	D3	C1	D4	109.468
D3	C1	D5	109.468	D4	C1	D5	109.468

Number	Element	Mulliken
1	C	-0.386
2	H	0.096
3	H	0.096
4	H	0.096
5	H	0.096

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

using model chemistry: PBEPBE/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>	10.117
(<r²>)^1/2	3.181

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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