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	hartrees
Energy at 0K	-2481.393837
Energy at 298.15K	-2481.397922
HF Energy	-2481.393837
Nuclear repulsion energy	186.397143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3169	3031	9.71
2	A₁	3061	2928	26.14
3	A₁	1481	1416	1.13
4	A₁	1339	1281	1.51
5	A₁	991	948	21.60
6	A₁	614	588	0.20
7	A₁	219	209	0.00
8	A₂	3162	3024	0.00
9	A₂	1467	1403	0.00
10	A₂	900	861	0.00
11	A₂	144	138	0.00
12	B₁	3156	3018	20.31
13	B₁	1476	1412	18.18
14	B₁	929	889	14.45
15	B₁	150	144	0.34
16	B₂	3169	3031	3.68
17	B₂	3065	2932	24.96
18	B₂	1474	1410	16.47
19	B₂	1318	1261	5.79
20	B₂	873	835	0.58
21	B₂	629	601	1.10

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.475
C2	0.000	1.454	-0.822
C3	0.000	-1.454	-0.822
H4	0.000	2.389	-0.262
H5	0.000	-2.389	-0.262
H6	0.895	1.407	-1.443
H7	-0.895	1.407	-1.443
H8	-0.895	-1.407	-1.443
H9	0.895	-1.407	-1.443

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9490	1.9490	2.5004	2.5004	2.5421	2.5421	2.5421	2.5421
C2	1.9490		2.9081	1.0900	3.8837	1.0900	1.0900	3.0616	3.0616
C3	1.9490	2.9081		3.8837	1.0900	3.0616	3.0616	1.0900	1.0900
H4	2.5004	1.0900	3.8837		4.7782	1.7774	1.7774	4.0753	4.0753
H5	2.5004	3.8837	1.0900	4.7782		4.0753	4.0753	1.7774	1.7774
H6	2.5421	1.0900	3.0616	1.7774	4.0753		1.7893	3.3352	2.8146
H7	2.5421	1.0900	3.0616	1.7774	4.0753	1.7893		2.8146	3.3352
H8	2.5421	3.0616	1.0900	4.0753	1.7774	3.3352	2.8146		1.7893
H9	2.5421	3.0616	1.0900	4.0753	1.7774	2.8146	3.3352	1.7893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.329	Se1	C2	H6	110.323
Se1	C2	H7	110.323	Se1	C3	H5	107.329
Se1	C3	H8	110.323	Se1	C3	H9	110.323
C2	Se1	C3	96.501	H4	C2	H6	109.237
H4	C2	H7	109.237	H5	C3	H8	109.237
H5	C3	H9	109.237	H6	C2	H7	110.328
H8	C3	H9	110.328

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: wB97X-D/6-311G**

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	-0.013
2	C	-0.431
3	C	-0.431
4	H	0.149
5	H	0.149
6	H	0.144
7	H	0.144
8	H	0.144
9	H	0.144

<r²>	92.174
(<r²>)^1/2	9.601

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)