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	hartrees
Energy at 0K	-40.518383
Energy at 298.15K
HF Energy	-40.518383
Nuclear repulsion energy	13.393925

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.000	0.000	-1.094
H3	0.000	1.031	0.364
H4	-0.893	-0.515	0.364
H5	0.893	-0.515	0.364

	C1	H2	H3	H4	H5
C1		1.0939	1.0932	1.0932	1.0932
H2	1.0939		1.7857	1.7857	1.7857
H3	1.0932	1.7857		1.7852	1.7852
H4	1.0932	1.7857	1.7852		1.7852
H5	1.0932	1.7857	1.7852	1.7852

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	-0.628
2	H	0.157
3	H	0.157
4	H	0.157
5	H	0.157

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

using model chemistry: B3LYP/6-31G*

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>	9.936
(<r²>)^1/2	3.152

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

using model chemistry: B3LYP/6-31G*

States and conformations

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