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	hartrees
Energy at 0K	-2481.051977
Energy at 298.15K	-2481.056050
HF Energy	-2481.051977
Nuclear repulsion energy	186.752276

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3165	3042	7.98
2	A₁	3061	2941	22.48
3	A₁	1474	1417	0.59
4	A₁	1316	1265	1.32
5	A₁	979	941	17.92
6	A₁	608	584	0.13
7	A₁	208	200	0.03
8	A₂	3159	3037	0.00
9	A₂	1454	1398	0.00
10	A₂	897	862	0.00
11	A₂	158	152	0.00
12	B₁	3153	3030	14.08
13	B₁	1462	1405	14.15
14	B₁	926	890	11.14
15	B₁	147	142	0.38
16	B₂	3166	3043	1.35
17	B₂	3064	2945	20.68
18	B₂	1467	1410	15.85
19	B₂	1295	1245	5.91
20	B₂	858	825	0.52
21	B₂	623	599	1.37

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.471
C2	0.000	1.457	-0.816
C3	0.000	-1.457	-0.816
H4	0.000	2.384	-0.246
H5	0.000	-2.384	-0.246
H6	0.894	1.415	-1.436
H7	-0.894	1.415	-1.436
H8	-0.894	-1.415	-1.436
H9	0.894	-1.415	-1.436

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9446	1.9446	2.4901	2.4901	2.5376	2.5376	2.5376	2.5376
C2	1.9446		2.9145	1.0884	3.8837	1.0884	1.0884	3.0716	3.0716
C3	1.9446	2.9145		3.8837	1.0884	3.0716	3.0716	1.0884	1.0884
H4	2.4901	1.0884	3.8837		4.7688	1.7757	1.7757	4.0807	4.0807
H5	2.4901	3.8837	1.0884	4.7688		4.0807	4.0807	1.7757	1.7757
H6	2.5376	1.0884	3.0716	1.7757	4.0807		1.7878	3.3480	2.8307
H7	2.5376	1.0884	3.0716	1.7757	4.0807	1.7878		2.8307	3.3480
H8	2.5376	3.0716	1.0884	4.0807	1.7757	3.3480	2.8307		1.7878
H9	2.5376	3.0716	1.0884	4.0807	1.7757	2.8307	3.3480	1.7878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.955	Se1	C2	H6	110.366
Se1	C2	H7	110.366	Se1	C3	H5	106.955
Se1	C3	H8	110.366	Se1	C3	H9	110.366
C2	Se1	C3	97.072	H4	C2	H6	109.322
H4	C2	H7	109.322	H5	C3	H8	109.322
H5	C3	H9	109.322	H6	C2	H7	110.434
H8	C3	H9	110.434

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: HSEh1PBE/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	-0.021
2	C	-0.322
3	C	-0.322
4	H	0.113
5	H	0.113
6	H	0.109
7	H	0.109
8	H	0.109
9	H	0.109

<r²>	91.990
(<r²>)^1/2	9.591

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)