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	hartrees
Energy at 0K	-40.406300
Energy at 298.15K
HF Energy	-40.203382
Nuclear repulsion energy	13.443437

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.000	0.000	-1.090
H3	0.000	1.027	0.363
H4	-0.889	-0.513	0.363
H5	0.889	-0.513	0.363

	C1	H2	H3	H4	H5
C1		1.0896	1.0893	1.0893	1.0893
H2	1.0896		1.7790	1.7790	1.7790
H3	1.0893	1.7790		1.7787	1.7787
H4	1.0893	1.7790	1.7787		1.7787
H5	1.0893	1.7790	1.7787	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
D2	C1	H3	109.471	D2	C1	H4	109.471
D2	C1	H5	109.471	H3	C1	H4	109.471
H3	C1	H5	109.471	H4	C1	H5	109.471

All results from a given calculation for CH₃D (methane-d)

using model chemistry: CCD/6-31G(2df,p)

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 CH3D (methane-d)

using model chemistry: CCD/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃D (methane-d)