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	hartrees
Energy at 0K	-40.503357
Energy at 298.15K
HF Energy	-40.503357
Nuclear repulsion energy	13.396998

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.000	0.000	-1.094
H3	0.000	1.030	0.364
H4	-0.892	-0.515	0.364
H5	0.892	-0.515	0.364

	C1	H2	H3	H4	H5
C1		1.0936	1.0930	1.0930	1.0930
H2	1.0936		1.7853	1.7853	1.7853
H3	1.0930	1.7853		1.7848	1.7848
H4	1.0930	1.7853	1.7848		1.7848
H5	1.0930	1.7853	1.7848	1.7848

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

Number	Element	Mulliken
1	C	-0.710
2	H	0.177
3	H	0.177
4	H	0.177
5	H	0.177

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

using model chemistry: B3PW91/6-31G*

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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<r²>	9.903
(<r²>)^1/2	3.147

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

using model chemistry: B3PW91/6-31G*

States and conformations

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