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	hartrees
Energy at 0K	-2480.817172
Energy at 298.15K	-2480.821235
HF Energy	-2480.674003
Nuclear repulsion energy	185.357027

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3180	3045	8.72
2	A₁	3067	2937	23.58
3	A₁	1470	1408	0.18
4	A₁	1317	1261	3.73
5	A₁	976	935	17.45
6	A₁	596	571	0.35
7	A₁	211	202	0.01
8	A₂	3175	3041	0.00
9	A₂	1450	1388	0.00
10	A₂	896	858	0.00
11	A₂	157	150	0.00
12	B₁	3169	3035	19.21
13	B₁	1458	1397	12.42
14	B₁	926	887	11.12
15	B₁	153	146	0.39
16	B₂	3180	3046	2.19
17	B₂	3071	2941	25.29
18	B₂	1463	1402	15.66
19	B₂	1293	1238	14.30
20	B₂	858	821	0.60
21	B₂	612	586	0.87

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.477
C2	0.000	1.463	-0.825
C3	0.000	-1.463	-0.825
H4	0.000	2.402	-0.254
H5	0.000	-2.402	-0.254
H6	0.902	1.419	-1.452
H7	-0.902	1.419	-1.452
H8	-0.902	-1.419	-1.452
H9	0.902	-1.419	-1.452

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9587	1.9587	2.5106	2.5106	2.5591	2.5591	2.5591	2.5591
C2	1.9587		2.9260	1.0987	3.9066	1.0989	1.0989	3.0845	3.0845
C3	1.9587	2.9260		3.9066	1.0987	3.0845	3.0845	1.0989	1.0989
H4	2.5106	1.0987	3.9066		4.8034	1.7922	1.7922	4.1047	4.1047
H5	2.5106	3.9066	1.0987	4.8034		4.1047	4.1047	1.7922	1.7922
H6	2.5591	1.0989	3.0845	1.7922	4.1047		1.8034	3.3633	2.8389
H7	2.5591	1.0989	3.0845	1.7922	4.1047	1.8034		2.8389	3.3633
H8	2.5591	3.0845	1.0989	4.1047	1.7922	3.3633	2.8389		1.8034
H9	2.5591	3.0845	1.0989	4.1047	1.7922	2.8389	3.3633	1.8034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.017	Se1	C2	H6	110.461
Se1	C2	H7	110.461	Se1	C3	H5	107.017
Se1	C3	H8	110.461	Se1	C3	H9	110.461
C2	Se1	C3	96.650	H4	C2	H6	109.279
H4	C2	H7	109.279	H5	C3	H8	109.279
H5	C3	H9	109.279	H6	C2	H7	110.275
H8	C3	H9	110.275

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B2PLYP/cc-pVDZ

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	0.001
2	C	-0.189
3	C	-0.189
4	H	0.064
5	H	0.064
6	H	0.062
7	H	0.062
8	H	0.062
9	H	0.062

<r²>	93.050
(<r²>)^1/2	9.646

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)