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	hartrees
Energy at 0K	-2469.093944
Energy at 298.15K	-2469.097948
HF Energy	-2469.093944
Nuclear repulsion energy	183.184421

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3101	3073	9.00
2	A₁	3001	2974	20.84
3	A₁	1497	1483	1.20
4	A₁	1350	1338	1.32
5	A₁	989	980	30.57
6	A₁	588	582	0.38
7	A₁	201	199	0.01
8	A₂	3097	3068	0.00
9	A₂	1477	1464	0.00
10	A₂	899	891	0.00
11	A₂	147	146	0.00
12	B₁	3092	3064	24.71
13	B₁	1486	1472	26.33
14	B₁	931	922	23.19
15	B₁	136	135	0.55
16	B₂	3101	3073	2.12
17	B₂	3004	2977	19.33
18	B₂	1487	1474	27.99
19	B₂	1326	1314	1.83
20	B₂	872	864	1.43
21	B₂	600	595	0.43

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.486
C2	0.000	1.478	-0.842
C3	0.000	-1.478	-0.842
H4	0.000	2.421	-0.272
H5	0.000	-2.421	-0.272
H6	0.903	1.432	-1.469
H7	-0.903	1.432	-1.469
H8	-0.903	-1.432	-1.469
H9	0.903	-1.432	-1.469

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9870	1.9870	2.5365	2.5365	2.5860	2.5860	2.5860	2.5860
C2	1.9870		2.9567	1.1010	3.9404	1.1007	1.1007	3.1110	3.1110
C3	1.9870	2.9567		3.9404	1.1010	3.1110	3.1110	1.1007	1.1007
H4	2.5365	1.1010	3.9404		4.8412	1.7962	1.7962	4.1339	4.1339
H5	2.5365	3.9404	1.1010	4.8412		4.1339	4.1339	1.7962	1.7962
H6	2.5860	1.1007	3.1110	1.7962	4.1339		1.8067	3.3858	2.8635
H7	2.5860	1.1007	3.1110	1.7962	4.1339	1.8067		2.8635	3.3858
H8	2.5860	3.1110	1.1007	4.1339	1.7962	3.3858	2.8635		1.8067
H9	2.5860	3.1110	1.1007	4.1339	1.7962	2.8635	3.3858	1.8067

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.922	Se1	C2	H6	110.440
Se1	C2	H7	110.440	Se1	C3	H5	106.922
Se1	C3	H8	110.440	Se1	C3	H9	110.440
C2	Se1	C3	96.148	H4	C2	H6	109.330
H4	C2	H7	109.330	H5	C3	H8	109.330
H5	C3	H9	109.330	H6	C2	H7	110.306
H8	C3	H9	110.306

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: PBEPBEultrafine/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	0.345
2	C	-0.884
3	C	-0.884
4	H	0.240
5	H	0.240
6	H	0.236
7	H	0.236
8	H	0.236
9	H	0.236

<r²>	94.647
(<r²>)^1/2	9.729

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: PBEPBEultrafine/3-21G

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)