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	hartrees
Energy at 0K	-40.185427
Energy at 298.15K
HF Energy	-40.185427
Nuclear repulsion energy	13.516327

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.000	0.000	1.083
H3	0.000	1.022	-0.361
H4	0.885	-0.511	-0.361
H5	-0.885	-0.511	-0.361

	C1	H2	H3	H4	H5
C1		1.0832	1.0836	1.0836	1.0836
H2	1.0832		1.7692	1.7692	1.7692
H3	1.0836	1.7692		1.7694	1.7694
H4	1.0836	1.7692	1.7694		1.7694
H5	1.0836	1.7692	1.7694	1.7694

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	-0.763
2	H	0.191
3	H	0.191
4	H	0.191
5	H	0.191

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

using model chemistry: HF/LANL2DZ

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>	9.925
(<r²>)^1/2	3.150

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

using model chemistry: HF/LANL2DZ

States and conformations

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