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	hartrees
Energy at 0K	-40.213738
Energy at 298.15K	-40.213494
HF Energy	-40.213738
Nuclear repulsion energy	13.532997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3201	2895	20.90
2	A₁	2311	2091	6.91
3	A₁	1569	1419	3.63
4	A₁	1131	1023	4.03
5	A₂	1443	1305	0.00
6	B₁	2403	2174	18.04
7	B₁	1367	1236	9.04
8	B₂	3245	2935	37.48
9	B₂	1206	1091	6.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
H2	0.000	0.884	0.625
H3	0.000	-0.884	0.625
H4	-0.884	0.000	-0.625
H5	0.884	0.000	-0.625

	C1	H2	H3	H4	H5
C1		1.0821	1.0821	1.0822	1.0822
H2	1.0821		1.7671	1.7671	1.7671
H3	1.0821	1.7671		1.7671	1.7671
H4	1.0822	1.7671	1.7671		1.7671
H5	1.0822	1.7671	1.7671	1.7671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	109.475	H2	C1	D4	109.471
H2	C1	D5	109.471	H3	C1	D4	109.471
H3	C1	D5	109.471	D4	C1	D5	109.468

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

using model chemistry: HF/daug-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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Number	Element	Mulliken
1	C	-1.895
2	H	0.474
3	H	0.474
4	H	0.474
5	H	0.474

<r²>	9.927
(<r²>)^1/2	3.151

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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