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	hartrees
Energy at 0K	-40.458286
Energy at 298.15K	-40.454469
HF Energy	-40.518382
Nuclear repulsion energy	13.393158

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.000	0.893	0.631
H3	0.000	-0.893	0.631
H4	-0.893	0.000	-0.631
H5	0.893	0.000	-0.631

	C1	H2	H3	H4	H5
C1		1.0933	1.0933	1.0934	1.0934
H2	1.0933		1.7854	1.7854	1.7854
H3	1.0933	1.7854		1.7854	1.7854
H4	1.0934	1.7854	1.7854		1.7855
H5	1.0934	1.7854	1.7854	1.7855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	109.476	H2	C1	D4	109.471
H2	C1	D5	109.471	H3	C1	D4	109.471
H3	C1	D5	109.471	D4	C1	D5	109.465

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 CH₂D₂ (methane-d2)

using model chemistry: G3B3

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 CH2D2 (methane-d2)

using model chemistry: G3B3

States and conformations

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