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	hartrees
Energy at 0K	-2481.341615
Energy at 298.15K	-2481.345640
HF Energy	-2481.341615
Nuclear repulsion energy	185.315551

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3147	3033	12.42
2	A₁	3048	2938	27.36
3	A₁	1495	1441	0.49
4	A₁	1332	1283	5.86
5	A₁	983	947	19.95
6	A₁	579	558	0.42
7	A₁	202	194	0.02
8	A₂	3143	3029	0.00
9	A₂	1476	1422	0.00
10	A₂	896	863	0.00
11	A₂	155	150	0.00
12	B₁	3138	3024	24.21
13	B₁	1484	1430	11.77
14	B₁	927	893	12.01
15	B₁	146	141	0.51
16	B₂	3147	3033	3.73
17	B₂	3051	2940	26.63
18	B₂	1489	1435	15.60
19	B₂	1309	1261	12.00
20	B₂	859	828	0.06
21	B₂	594	572	0.60

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.475
C2	0.000	1.471	-0.825
C3	0.000	-1.471	-0.825
H4	0.000	2.396	-0.248
H5	0.000	-2.396	-0.248
H6	0.896	1.428	-1.443
H7	-0.896	1.428	-1.443
H8	-0.896	-1.428	-1.443
H9	0.896	-1.428	-1.443

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9631	1.9631	2.5028	2.5028	2.5537	2.5537	2.5537	2.5537
C2	1.9631		2.9421	1.0896	3.9096	1.0895	1.0895	3.0966	3.0966
C3	1.9631	2.9421		3.9096	1.0896	3.0966	3.0966	1.0895	1.0895
H4	2.5028	1.0896	3.9096		4.7917	1.7796	1.7796	4.1050	4.1050
H5	2.5028	3.9096	1.0896	4.7917		4.1050	4.1050	1.7796	1.7796
H6	2.5537	1.0895	3.0966	1.7796	4.1050		1.7919	3.3715	2.8558
H7	2.5537	1.0895	3.0966	1.7796	4.1050	1.7919		2.8558	3.3715
H8	2.5537	3.0966	1.0895	4.1050	1.7796	3.3715	2.8558		1.7919
H9	2.5537	3.0966	1.0895	4.1050	1.7796	2.8558	3.3715	1.7919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.607	Se1	C2	H6	110.253
Se1	C2	H7	110.253	Se1	C3	H5	106.607
Se1	C3	H8	110.253	Se1	C3	H9	110.253
C2	Se1	C3	97.068	H4	C2	H6	109.498
H4	C2	H7	109.498	H5	C3	H8	109.498
H5	C3	H9	109.498	H6	C2	H7	110.642
H8	C3	H9	110.642

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: TPSSh/TZVP

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	-0.069
2	C	-0.348
3	C	-0.348
4	H	0.130
5	H	0.130
6	H	0.126
7	H	0.126
8	H	0.126
9	H	0.126

<r²>	93.103
(<r²>)^1/2	9.649

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: TPSSh/TZVP

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)