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	hartrees
Energy at 0K	-2479.233977
Energy at 298.15K	-2479.238019
HF Energy	-2479.233977
Nuclear repulsion energy	185.302746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3155	3037	10.60
2	A₁	3053	2939	28.57
3	A₁	1489	1433	0.85
4	A₁	1345	1295	4.49
5	A₁	1000	963	20.40
6	A₁	579	558	0.28
7	A₁	208	200	0.01
8	A₂	3149	3032	0.00
9	A₂	1471	1416	0.00
10	A₂	920	886	0.00
11	A₂	150	144	0.00
12	B₁	3143	3025	15.43
13	B₁	1483	1428	14.77
14	B₁	951	916	11.60
15	B₁	153	148	0.35
16	B₂	3155	3038	3.76
17	B₂	3056	2942	27.37
18	B₂	1482	1426	17.70
19	B₂	1320	1270	9.30
20	B₂	880	848	0.12
21	B₂	588	566	0.88

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.475
C2	0.000	1.471	-0.822
C3	0.000	-1.471	-0.822
H4	0.000	2.401	-0.248
H5	0.000	-2.401	-0.248
H6	0.895	1.432	-1.446
H7	-0.895	1.432	-1.446
H8	-0.895	-1.432	-1.446
H9	0.895	-1.432	-1.446

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9611	1.9611	2.5074	2.5074	2.5575	2.5575	2.5575	2.5575
C2	1.9611		2.9426	1.0922	3.9144	1.0921	1.0921	3.1016	3.1016
C3	1.9611	2.9426		3.9144	1.0922	3.1016	3.1016	1.0921	1.0921
H4	2.5074	1.0922	3.9144		4.8017	1.7817	1.7817	4.1141	4.1141
H5	2.5074	3.9144	1.0922	4.8017		4.1141	4.1141	1.7817	1.7817
H6	2.5575	1.0921	3.1016	1.7817	4.1141		1.7909	3.3777	2.8638
H7	2.5575	1.0921	3.1016	1.7817	4.1141	1.7909		2.8638	3.3777
H8	2.5575	3.1016	1.0921	4.1141	1.7817	3.3777	2.8638		1.7909
H9	2.5575	3.1016	1.0921	4.1141	1.7817	2.8638	3.3777	1.7909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.939	Se1	C2	H6	110.529
Se1	C2	H7	110.529	Se1	C3	H5	106.939
Se1	C3	H8	110.529	Se1	C3	H9	110.529
C2	Se1	C3	97.221	H4	C2	H6	109.312
H4	C2	H7	109.312	H5	C3	H8	109.312
H5	C3	H9	109.312	H6	C2	H7	110.152
H8	C3	H9	110.152

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B3LYPultrafine/6-31+G**

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	-0.494
3	C	-0.494
4	H	0.168
5	H	0.168
6	H	0.169
7	H	0.169
8	H	0.169
9	H	0.169

<r²>	93.444
(<r²>)^1/2	9.667

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)