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	hartrees
Energy at 0K	-40.391245
Energy at 298.15K
HF Energy	-40.199252
Nuclear repulsion energy	13.296532

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.000	0.899	0.636
H3	0.000	-0.899	0.636
H4	-0.899	0.000	-0.636
H5	0.899	0.000	-0.636

	C1	H2	H3	H4	H5
C1		1.1014	1.1014	1.1014	1.1014
H2	1.1014		1.7985	1.7986	1.7986
H3	1.1014	1.7985		1.7986	1.7986
H4	1.1014	1.7986	1.7986		1.7986
H5	1.1014	1.7986	1.7986	1.7986

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

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

using model chemistry: CCSD/aug-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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All results from a given calculation for CH2D2 (methane-d2)

using model chemistry: CCSD/aug-cc-pVDZ

States and conformations

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