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	hartrees
Energy at 0K	-40.537532
Energy at 298.15K
HF Energy	-40.537532
Nuclear repulsion energy	13.435979

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.000	0.000	1.078
H3	0.000	1.016	-0.359
H4	0.880	-0.508	-0.359
H5	-0.880	-0.508	-0.359

	C1	H2	H3	H4	H5
C1		1.0776	1.0777	1.0777	1.0777
H2	1.0776		1.7598	1.7598	1.7598
H3	1.0777	1.7598		1.7599	1.7599
H4	1.0777	1.7598	1.7599		1.7599
H5	1.0777	1.7598	1.7599	1.7599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	D3	109.475	H2	C1	D4	109.475
H2	C1	D5	109.475	D3	C1	D4	109.468
D3	C1	D5	109.468	D4	C1	D5	109.468

Number	Element	Mulliken
1	C	-0.338
2	H	0.085
3	H	0.085
4	H	0.085
5	H	0.085

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

using model chemistry: TPSSh/cc-pVTZ

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>	9.980
(<r²>)^1/2	3.159

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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