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	hartrees
Energy at 0K	-2480.918021
Energy at 298.15K	-2480.921993
HF Energy	-2480.918021
Nuclear repulsion energy	184.640911

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3088	3054	9.55
2	A₁	2986	2952	24.32
3	A₁	1432	1416	0.77
4	A₁	1279	1264	2.93
5	A₁	950	939	20.72
6	A₁	569	563	0.22
7	A₁	202	200	0.03
8	A₂	3083	3049	0.00
9	A₂	1411	1395	0.00
10	A₂	866	856	0.00
11	A₂	157	155	0.00
12	B₁	3077	3042	17.82
13	B₁	1419	1403	14.56
14	B₁	898	888	14.77
15	B₁	148	147	0.52
16	B₂	3089	3055	1.72
17	B₂	2989	2956	21.79
18	B₂	1426	1410	18.99
19	B₂	1256	1242	5.21
20	B₂	832	823	0.17
21	B₂	582	576	1.28

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.477
C2	0.000	1.474	-0.827
C3	0.000	-1.474	-0.827
H4	0.000	2.406	-0.248
H5	0.000	-2.406	-0.248
H6	0.901	1.435	-1.451
H7	-0.901	1.435	-1.451
H8	-0.901	-1.435	-1.451
H9	0.901	-1.435	-1.451

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9685	1.9685	2.5131	2.5131	2.5671	2.5671	2.5671	2.5671
C2	1.9685		2.9484	1.0969	3.9231	1.0968	1.0968	3.1090	3.1090
C3	1.9685	2.9484		3.9231	1.0969	3.1090	3.1090	1.0968	1.0968
H4	2.5131	1.0969	3.9231		4.8120	1.7891	1.7891	4.1246	4.1246
H5	2.5131	3.9231	1.0969	4.8120		4.1246	4.1246	1.7891	1.7891
H6	2.5671	1.0968	3.1090	1.7891	4.1246		1.8026	3.3894	2.8702
H7	2.5671	1.0968	3.1090	1.7891	4.1246	1.8026		2.8702	3.3894
H8	2.5671	3.1090	1.0968	4.1246	1.7891	3.3894	2.8702		1.8026
H9	2.5671	3.1090	1.0968	4.1246	1.7891	2.8702	3.3894	1.8026

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.650	Se1	C2	H6	110.499
Se1	C2	H7	110.499	Se1	C3	H5	106.650
Se1	C3	H8	110.499	Se1	C3	H9	110.499
C2	Se1	C3	96.990	H4	C2	H6	109.289
H4	C2	H7	109.289	H5	C3	H8	109.289
H5	C3	H9	109.289	H6	C2	H7	110.523
H8	C3	H9	110.523

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: PBEPBE/TZVP

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	-0.032
2	C	-0.411
3	C	-0.411
4	H	0.144
5	H	0.144
6	H	0.142
7	H	0.142
8	H	0.142
9	H	0.142

<r²>	93.804
(<r²>)^1/2	9.685

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: PBEPBE/TZVP

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)