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	hartrees
Energy at 0K	-40.463223
Energy at 298.15K	-40.459358
HF Energy	-40.195172
Nuclear repulsion energy	13.513477

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.000	0.890	0.629
H3	0.000	-0.890	0.629
H4	-0.890	0.000	-0.629
H5	0.890	0.000	-0.629

	C1	H2	H3	H4	H5
C1		1.0897	1.0897	1.0897	1.0897
H2	1.0897		1.7795	1.7795	1.7795
H3	1.0897	1.7795		1.7795	1.7795
H4	1.0897	1.7795	1.7795		1.7795
H5	1.0897	1.7795	1.7795	1.7795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	109.477	H2	C1	D4	109.472
H2	C1	D5	109.472	H3	C1	D4	109.472
H3	C1	D5	109.472	D4	C1	D5	109.464

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

using model chemistry: G3

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: G3

States and conformations

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