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	hartrees
Energy at 0K	-40.508350
Energy at 298.15K
HF Energy	-40.508350
Nuclear repulsion energy	13.410184

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.000	0.882	0.623
H3	0.000	-0.882	0.623
H4	-0.882	0.000	-0.624
H5	0.882	0.000	-0.624

	C1	H2	H3	H4	H5
C1		1.0798	1.0798	1.0800	1.0800
H2	1.0798		1.7633	1.7635	1.7635
H3	1.0798	1.7633		1.7635	1.7635
H4	1.0800	1.7635	1.7635		1.7634
H5	1.0800	1.7635	1.7635	1.7634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	109.474	H2	C1	D4	109.473
H2	C1	D5	109.473	H3	C1	D4	109.473
H3	C1	D5	109.473	D4	C1	D5	109.461

Number	Element	Mulliken
1	C	-0.646
2	H	0.162
3	H	0.162
4	H	0.162
5	H	0.162

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

using model chemistry: wB97X-D/cc-pVDZ

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>	10.014
(<r²>)^1/2	3.164

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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