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	hartrees
Energy at 0K	-2476.079319
Energy at 298.15K	-2476.083354
HF Energy	-2476.079319
Nuclear repulsion energy	187.882328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3117	3059	4.31
2	A₁	2998	2942	17.64
3	A₁	1426	1399	0.14
4	A₁	1274	1250	0.61
5	A₁	952	934	23.75
6	A₁	602	591	0.29
7	A₁	210	206	0.09
8	A₂	3111	3053	0.00
9	A₂	1403	1377	0.00
10	A₂	854	838	0.00
11	A₂	168	165	0.00
12	B₁	3102	3044	8.95
13	B₁	1417	1390	18.33
14	B₁	896	879	16.31
15	B₁	162	159	0.48
16	B₂	3119	3061	0.06
17	B₂	3003	2947	12.17
18	B₂	1417	1391	23.67
19	B₂	1248	1225	1.95
20	B₂	827	811	1.21
21	B₂	613	602	1.67

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.471
C2	0.000	1.436	-0.814
C3	0.000	-1.436	-0.814
H4	0.000	2.378	-0.247
H5	0.000	-2.378	-0.247
H6	0.905	1.392	-1.438
H7	-0.905	1.392	-1.438
H8	-0.905	-1.392	-1.438
H9	0.905	-1.392	-1.438

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9267	1.9267	2.4841	2.4841	2.5297	2.5297	2.5297	2.5297
C2	1.9267		2.8718	1.0996	3.8559	1.1000	1.1000	3.0336	3.0336
C3	1.9267	2.8718		3.8559	1.0996	3.0336	3.0336	1.1000	1.1000
H4	2.4841	1.0996	3.8559		4.7562	1.7918	1.7918	4.0556	4.0556
H5	2.4841	3.8559	1.0996	4.7562		4.0556	4.0556	1.7918	1.7918
H6	2.5297	1.1000	3.0336	1.7918	4.0556		1.8091	3.3195	2.7832
H7	2.5297	1.1000	3.0336	1.7918	4.0556	1.8091		2.7832	3.3195
H8	2.5297	3.0336	1.1000	4.0556	1.7918	3.3195	2.7832		1.8091
H9	2.5297	3.0336	1.1000	4.0556	1.7918	2.7832	3.3195	1.8091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.152	Se1	C2	H6	110.393
Se1	C2	H7	110.393	Se1	C3	H5	107.152
Se1	C3	H8	110.393	Se1	C3	H9	110.393
C2	Se1	C3	96.363	H4	C2	H6	109.093
H4	C2	H7	109.093	H5	C3	H8	109.093
H5	C3	H9	109.093	H6	C2	H7	110.632
H8	C3	H9	110.632

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: LSDA/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	-0.026
2	C	-0.498
3	C	-0.498
4	H	0.174
5	H	0.174
6	H	0.168
7	H	0.168
8	H	0.168
9	H	0.168

<r²>	90.605
(<r²>)^1/2	9.519

All results from a given calculation for CH3SeCH3 (dimethylselenide)

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

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)