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	hartrees
Energy at 0K	-2481.439931
Energy at 298.15K	-2481.443984
HF Energy	-2481.439931
Nuclear repulsion energy	186.330577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3153	3032	8.72
2	A₁	3052	2935	22.24
3	A₁	1473	1416	0.58
4	A₁	1313	1263	1.73
5	A₁	976	939	17.76
6	A₁	598	575	0.14
7	A₁	207	199	0.03
8	A₂	3149	3028	0.00
9	A₂	1454	1398	0.00
10	A₂	895	860	0.00
11	A₂	156	150	0.00
12	B₁	3143	3023	14.83
13	B₁	1461	1405	13.12
14	B₁	923	888	11.04
15	B₁	146	140	0.40
16	B₂	3154	3033	1.36
17	B₂	3055	2938	22.04
18	B₂	1466	1410	15.08
19	B₂	1293	1243	7.11
20	B₂	857	824	0.55
21	B₂	613	590	1.25

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.471
C2	0.000	1.465	-0.815
C3	0.000	-1.465	-0.815
H4	0.000	2.389	-0.239
H5	0.000	-2.389	-0.239
H6	0.894	1.427	-1.435
H7	-0.894	1.427	-1.435
H8	-0.894	-1.427	-1.435
H9	0.894	-1.427	-1.435

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9495	1.9495	2.4921	2.4921	2.5428	2.5428	2.5428	2.5428
C2	1.9495		2.9304	1.0885	3.8968	1.0884	1.0884	3.0899	3.0899
C3	1.9495	2.9304		3.8968	1.0885	3.0899	3.0899	1.0884	1.0884
H4	2.4921	1.0885	3.8968		4.7776	1.7758	1.7758	4.0973	4.0973
H5	2.4921	3.8968	1.0885	4.7776		4.0973	4.0973	1.7758	1.7758
H6	2.5428	1.0884	3.0899	1.7758	4.0973		1.7883	3.3679	2.8538
H7	2.5428	1.0884	3.0899	1.7758	4.0973	1.7883		2.8538	3.3679
H8	2.5428	3.0899	1.0884	4.0973	1.7758	3.3679	2.8538		1.7883
H9	2.5428	3.0899	1.0884	4.0973	1.7758	2.8538	3.3679	1.7883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.778	Se1	C2	H6	110.419
Se1	C2	H7	110.419	Se1	C3	H5	106.778
Se1	C3	H8	110.419	Se1	C3	H9	110.419
C2	Se1	C3	97.455	H4	C2	H6	109.328
H4	C2	H7	109.328	H5	C3	H8	109.328
H5	C3	H9	109.328	H6	C2	H7	110.486
H8	C3	H9	110.486

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B3PW91/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	Se	-0.028
2	C	-0.304
3	C	-0.304
4	H	0.107
5	H	0.107
6	H	0.105
7	H	0.105
8	H	0.105
9	H	0.105

<r²>	92.307
(<r²>)^1/2	9.608

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)