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	hartrees
Energy at 0K	-2481.432886
Energy at 298.15K	-2481.436797
HF Energy	-2481.432886
Nuclear repulsion energy	183.155819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3066	3055	11.41
2	A₁	2977	2967	25.23
3	A₁	1443	1438	0.60
4	A₁	1275	1271	3.04
5	A₁	945	942	12.56
6	A₁	542	540	0.22
7	A₁	200	199	0.03
8	A₂	3062	3052	0.00
9	A₂	1426	1421	0.00
10	A₂	868	865	0.00
11	A₂	149	148	0.00
12	B₁	3056	3045	15.34
13	B₁	1433	1428	9.50
14	B₁	894	891	7.92
15	B₁	139	138	0.24
16	B₂	3067	3056	2.40
17	B₂	2980	2970	24.28
18	B₂	1438	1433	13.26
19	B₂	1254	1250	10.83
20	B₂	832	830	0.26
21	B₂	556	554	0.69

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.480
C2	0.000	1.494	-0.835
C3	0.000	-1.494	-0.835
H4	0.000	2.419	-0.252
H5	0.000	-2.419	-0.252
H6	0.899	1.449	-1.454
H7	-0.899	1.449	-1.454
H8	-0.899	-1.449	-1.454
H9	0.899	-1.449	-1.454

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9902	1.9902	2.5276	2.5276	2.5787	2.5787	2.5787	2.5787
C2	1.9902		2.9875	1.0932	3.9559	1.0930	1.0930	3.1385	3.1385
C3	1.9902	2.9875		3.9559	1.0932	3.1385	3.1385	1.0930	1.0930
H4	2.5276	1.0932	3.9559		4.8380	1.7873	1.7873	4.1486	4.1486
H5	2.5276	3.9559	1.0932	4.8380		4.1486	4.1486	1.7873	1.7873
H6	2.5787	1.0930	3.1385	1.7873	4.1486		1.7987	3.4101	2.8972
H7	2.5787	1.0930	3.1385	1.7873	4.1486	1.7987		2.8972	3.4101
H8	2.5787	3.1385	1.0930	4.1486	1.7873	3.4101	2.8972		1.7987
H9	2.5787	3.1385	1.0930	4.1486	1.7873	2.8972	3.4101	1.7987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.459	Se1	C2	H6	110.090
Se1	C2	H7	110.090	Se1	C3	H5	106.459
Se1	C3	H8	110.090	Se1	C3	H9	110.090
C2	Se1	C3	97.280	H4	C2	H6	109.684
H4	C2	H7	109.684	H5	C3	H8	109.684
H5	C3	H9	109.684	H6	C2	H7	110.741
H8	C3	H9	110.741

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: BLYP/aug-cc-pVTZ

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	0.262
2	C	-0.639
3	C	-0.639
4	H	0.142
5	H	0.142
6	H	0.183
7	H	0.183
8	H	0.183
9	H	0.183

<r²>	95.338
(<r²>)^1/2	9.764

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)