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	hartrees
Energy at 0K	-40.180554
Energy at 298.15K
HF Energy	-40.180554
Nuclear repulsion energy	13.533173

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.000	0.884	0.625
H3	0.000	-0.884	0.625
H4	-0.884	0.000	-0.625
H5	0.884	0.000	-0.625

	C1	H2	H3	H4	H5
C1		1.0821	1.0821	1.0821	1.0821
H2	1.0821		1.7671	1.7671	1.7671
H3	1.0821	1.7671		1.7671	1.7671
H4	1.0821	1.7671	1.7671		1.7671
H5	1.0821	1.7671	1.7671	1.7671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	109.471	H2	C1	D4	109.471
H2	C1	D5	109.471	H3	C1	D4	109.471
H3	C1	D5	109.471	D4	C1	D5	109.471

Number	Element	Mulliken
1	C	-0.622
2	H	0.155
3	H	0.155
4	H	0.155
5	H	0.155

All results from a given calculation for CH₂D₂ (methane-d2)

using model chemistry: HF/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>	9.939
(<r²>)^1/2	3.153

All results from a given calculation for CH2D2 (methane-d2)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for CH₂D₂ (methane-d2)