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	hartrees
Energy at 0K	-2469.616509
Energy at 298.15K	-2469.620558
HF Energy	-2469.616509
Nuclear repulsion energy	183.388453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3166	3055	9.55
2	A₁	3075	2967	20.74
3	A₁	1545	1490	1.40
4	A₁	1394	1345	2.14
5	A₁	1016	981	29.30
6	A₁	588	567	0.39
7	A₁	206	199	0.00
8	A₂	3164	3053	0.00
9	A₂	1526	1472	0.00
10	A₂	927	894	0.00
11	A₂	147	142	0.00
12	B₁	3161	3050	25.69
13	B₁	1534	1480	23.86
14	B₁	955	922	19.44
15	B₁	137	132	0.45
16	B₂	3166	3055	2.87
17	B₂	3077	2969	21.51
18	B₂	1536	1482	24.18
19	B₂	1371	1323	4.05
20	B₂	898	867	1.00
21	B₂	603	582	0.20

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.483
C2	0.000	1.484	-0.838
C3	0.000	-1.484	-0.838
H4	0.000	2.416	-0.268
H5	0.000	-2.416	-0.268
H6	0.896	1.440	-1.460
H7	-0.896	1.440	-1.460
H8	-0.896	-1.440	-1.460
H9	0.896	-1.440	-1.460

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9875	1.9875	2.5302	2.5302	2.5791	2.5791	2.5791	2.5791
C2	1.9875		2.9689	1.0919	3.9418	1.0914	1.0914	3.1209	3.1209
C3	1.9875	2.9689		3.9418	1.0919	3.1209	3.1209	1.0914	1.0914
H4	2.5302	1.0919	3.9418		4.8319	1.7819	1.7819	4.1338	4.1338
H5	2.5302	3.9418	1.0919	4.8319		4.1338	4.1338	1.7819	1.7819
H6	2.5791	1.0914	3.1209	1.7819	4.1338		1.7915	3.3913	2.8795
H7	2.5791	1.0914	3.1209	1.7819	4.1338	1.7915		2.8795	3.3913
H8	2.5791	3.1209	1.0914	4.1338	1.7819	3.3913	2.8795		1.7915
H9	2.5791	3.1209	1.0914	4.1338	1.7819	2.8795	3.3913	1.7915

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.875	Se1	C2	H6	110.380
Se1	C2	H7	110.380	Se1	C3	H5	106.875
Se1	C3	H8	110.380	Se1	C3	H9	110.380
C2	Se1	C3	96.648	H4	C2	H6	109.405
H4	C2	H7	109.405	H5	C3	H8	109.405
H5	C3	H9	109.405	H6	C2	H7	110.324
H8	C3	H9	110.324

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B3LYPultrafine/3-21G

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	0.347
2	C	-0.841
3	C	-0.841
4	H	0.225
5	H	0.225
6	H	0.221
7	H	0.221
8	H	0.221
9	H	0.221

<r²>	94.634
(<r²>)^1/2	9.728

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B3LYPultrafine/3-21G

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)