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	hartrees
Energy at 0K	-40.383989
Energy at 298.15K
HF Energy	-40.198324
Nuclear repulsion energy	13.278966

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.000	0.900	0.637
H3	0.000	-0.900	0.637
H4	-0.900	0.000	-0.637
H5	0.900	0.000	-0.637

	C1	H2	H3	H4	H5
C1		1.1028	1.1028	1.1029	1.1029
H2	1.1028		1.8009	1.8009	1.8009
H3	1.1028	1.8009		1.8009	1.8009
H4	1.1029	1.8009	1.8009		1.8010
H5	1.1029	1.8009	1.8009	1.8010

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: QCISD/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: QCISD/cc-pVDZ

States and conformations

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