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	hartrees
Energy at 0K	-40.448679
Energy at 298.15K
HF Energy	-40.213450
Nuclear repulsion energy	13.502690

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.000	0.000	-1.085
H3	0.000	1.023	0.362
H4	-0.886	-0.511	0.362
H5	0.886	-0.511	0.362

	C1	H2	H3	H4	H5
C1		1.0847	1.0845	1.0845	1.0845
H2	1.0847		1.7712	1.7712	1.7712
H3	1.0845	1.7712		1.7710	1.7710
H4	1.0845	1.7712	1.7710		1.7710
H5	1.0845	1.7712	1.7710	1.7710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	D3	109.471	H2	C1	D4	109.471
H2	C1	D5	109.471	D3	C1	D4	109.471
D3	C1	D5	109.471	D4	C1	D5	109.471

All results from a given calculation for CHD₃ (methane-d3)

using model chemistry: CCSD=FULL/cc-pVTZ

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 CHD3 (methane-d3)

using model chemistry: CCSD=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CHD₃ (methane-d3)