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	hartrees
Energy at 0K	-2479.354895
Energy at 298.15K	-2479.358992
HF Energy	-2479.354895
Nuclear repulsion energy	186.996505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3191	3037	8.11
2	A₁	3080	2931	26.99
3	A₁	1491	1420	1.01
4	A₁	1351	1286	2.52
5	A₁	1008	959	22.27
6	A₁	607	577	0.26
7	A₁	211	201	0.01
8	A₂	3184	3030	0.00
9	A₂	1473	1402	0.00
10	A₂	927	883	0.00
11	A₂	153	145	0.00
12	B₁	3177	3024	12.23
13	B₁	1485	1414	17.22
14	B₁	959	913	12.17
15	B₁	157	150	0.43
16	B₂	3192	3038	2.17
17	B₂	3083	2934	24.73
18	B₂	1484	1412	19.36
19	B₂	1326	1262	5.01
20	B₂	886	844	0.21
21	B₂	615	585	1.18

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.471
C2	0.000	1.454	-0.814
C3	0.000	-1.454	-0.814
H4	0.000	2.385	-0.246
H5	0.000	-2.385	-0.246
H6	0.894	1.415	-1.438
H7	-0.894	1.415	-1.438
H8	-0.894	-1.415	-1.438
H9	0.894	-1.415	-1.438

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9398	1.9398	2.4905	2.4905	2.5386	2.5386	2.5386	2.5386
C2	1.9398		2.9071	1.0907	3.8803	1.0908	1.0908	3.0688	3.0688
C3	1.9398	2.9071		3.8803	1.0907	3.0688	3.0688	1.0908	1.0908
H4	2.4905	1.0907	3.8803		4.7700	1.7776	1.7776	4.0817	4.0817
H5	2.4905	3.8803	1.0907	4.7700		4.0817	4.0817	1.7776	1.7776
H6	2.5386	1.0908	3.0688	1.7776	4.0817		1.7874	3.3473	2.8302
H7	2.5386	1.0908	3.0688	1.7776	4.0817	1.7874		2.8302	3.3473
H8	2.5386	3.0688	1.0908	4.0817	1.7776	3.3473	2.8302		1.7874
H9	2.5386	3.0688	1.0908	4.0817	1.7776	2.8302	3.3473	1.7874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.182	Se1	C2	H6	110.643
Se1	C2	H7	110.643	Se1	C3	H5	107.182
Se1	C3	H8	110.643	Se1	C3	H9	110.643
C2	Se1	C3	97.068	H4	C2	H6	109.142
H4	C2	H7	109.142	H5	C3	H8	109.142
H5	C3	H9	109.142	H6	C2	H7	110.022
H8	C3	H9	110.022

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: mPW1PW91/6-31+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	-0.045
2	C	-0.543
3	C	-0.543
4	H	0.189
5	H	0.189
6	H	0.188
7	H	0.188
8	H	0.188
9	H	0.188

<r²>	91.855
(<r²>)^1/2	9.584

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)