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	hartrees
Energy at 0K	-2479.164411
Energy at 298.15K	-2479.168485
HF Energy	-2479.164411
Nuclear repulsion energy	186.288469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3182	3049	9.40
2	A₁	3071	2943	21.31
3	A₁	1492	1430	0.18
4	A₁	1337	1281	3.28
5	A₁	991	949	22.87
6	A₁	589	564	0.40
7	A₁	217	208	0.08
8	A₂	3181	3049	0.00
9	A₂	1472	1410	0.00
10	A₂	893	856	0.00
11	A₂	160	153	0.00
12	B₁	3176	3044	17.18
13	B₁	1484	1422	12.80
14	B₁	931	892	13.66
15	B₁	160	153	0.45
16	B₂	3182	3050	1.71
17	B₂	3074	2946	22.27
18	B₂	1484	1422	17.11
19	B₂	1311	1257	8.90
20	B₂	867	831	0.81
21	B₂	603	578	0.70

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.470
C2	0.000	1.466	-0.814
C3	0.000	-1.466	-0.814
H4	0.000	2.391	-0.234
H5	0.000	-2.391	-0.234
H6	0.898	1.430	-1.433
H7	-0.898	1.430	-1.433
H8	-0.898	-1.430	-1.433
H9	0.898	-1.430	-1.433

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9488	1.9488	2.4928	2.4928	2.5435	2.5435	2.5435	2.5435
C2	1.9488		2.9329	1.0915	3.9010	1.0913	1.0913	3.0946	3.0946
C3	1.9488	2.9329		3.9010	1.0915	3.0946	3.0946	1.0913	1.0913
H4	2.4928	1.0915	3.9010		4.7826	1.7798	1.7798	4.1039	4.1039
H5	2.4928	3.9010	1.0915	4.7826		4.1039	4.1039	1.7798	1.7798
H6	2.5435	1.0913	3.0946	1.7798	4.1039		1.7962	3.3766	2.8592
H7	2.5435	1.0913	3.0946	1.7798	4.1039	1.7962		2.8592	3.3766
H8	2.5435	3.0946	1.0913	4.1039	1.7798	3.3766	2.8592		1.7962
H9	2.5435	3.0946	1.0913	4.1039	1.7798	2.8592	3.3766	1.7962

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.731	Se1	C2	H6	110.369
Se1	C2	H7	110.369	Se1	C3	H5	106.731
Se1	C3	H8	110.369	Se1	C3	H9	110.369
C2	Se1	C3	97.609	H4	C2	H6	109.250
H4	C2	H7	109.250	H5	C3	H8	109.250
H5	C3	H9	109.250	H6	C2	H7	110.775
H8	C3	H9	110.775

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B3PW91/6-31G**

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	-0.016
2	C	-0.473
3	C	-0.473
4	H	0.163
5	H	0.163
6	H	0.159
7	H	0.159
8	H	0.159
9	H	0.159

<r²>	92.045
(<r²>)^1/2	9.594

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)