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	hartrees
Energy at 0K	-40.515297
Energy at 298.15K
HF Energy	-40.515297
Nuclear repulsion energy	13.426003

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.000	0.881	0.623
H3	0.000	-0.881	0.623
H4	-0.881	0.000	-0.623
H5	0.881	0.000	-0.623

	C1	H2	H3	H4	H5
C1		1.0785	1.0785	1.0787	1.0787
H2	1.0785		1.7612	1.7613	1.7613
H3	1.0785	1.7612		1.7613	1.7613
H4	1.0787	1.7613	1.7613		1.7614
H5	1.0787	1.7613	1.7613	1.7614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	109.475	H2	C1	D4	109.473
H2	C1	D5	109.473	H3	C1	D4	109.473
H3	C1	D5	109.473	D4	C1	D5	109.462

Number	Element	Mulliken
1	C	-0.469
2	H	0.117
3	H	0.117
4	H	0.117
5	H	0.117

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

using model chemistry: wB97X-D/6-311G**

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>	9.977
(<r²>)^1/2	3.159

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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