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	hartrees
Energy at 0K	-2481.334704
Energy at 298.15K	-2481.338616
HF Energy	-2481.334704
Nuclear repulsion energy	182.610409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3065	3058	17.42
2	A₁	2974	2966	29.10
3	A₁	1462	1458	0.40
4	A₁	1297	1294	4.73
5	A₁	955	952	20.70
6	A₁	539	538	0.37
7	A₁	201	200	0.04
8	A₂	3062	3054	0.00
9	A₂	1445	1441	0.00
10	A₂	874	872	0.00
11	A₂	151	151	0.00
12	B₁	3056	3049	32.21
13	B₁	1453	1450	15.35
14	B₁	903	900	15.58
15	B₁	142	141	0.37
16	B₂	3066	3058	6.12
17	B₂	2976	2969	29.66
18	B₂	1455	1452	18.01
19	B₂	1275	1271	10.88
20	B₂	841	839	0.47
21	B₂	553	551	0.55

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.484
C2	0.000	1.494	-0.840
C3	0.000	-1.494	-0.840
H4	0.000	2.426	-0.262
H5	0.000	-2.426	-0.262
H6	0.901	1.451	-1.463
H7	-0.901	1.451	-1.463
H8	-0.901	-1.451	-1.463
H9	0.901	-1.451	-1.463

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9958	1.9958	2.5381	2.5381	2.5895	2.5895	2.5895	2.5895
C2	1.9958		2.9882	1.0962	3.9623	1.0960	1.0960	3.1423	3.1423
C3	1.9958	2.9882		3.9623	1.0962	3.1423	3.1423	1.0960	1.0960
H4	2.5381	1.0962	3.9623		4.8519	1.7895	1.7895	4.1574	4.1574
H5	2.5381	3.9623	1.0962	4.8519		4.1574	4.1574	1.7895	1.7895
H6	2.5895	1.0960	3.1423	1.7895	4.1574		1.8015	3.4160	2.9024
H7	2.5895	1.0960	3.1423	1.7895	4.1574	1.8015		2.9024	3.4160
H8	2.5895	3.1423	1.0960	4.1574	1.7895	3.4160	2.9024		1.8015
H9	2.5895	3.1423	1.0960	4.1574	1.7895	2.9024	3.4160	1.8015

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.690	Se1	C2	H6	110.339
Se1	C2	H7	110.339	Se1	C3	H5	106.690
Se1	C3	H8	110.339	Se1	C3	H9	110.339
C2	Se1	C3	96.938	H4	C2	H6	109.428
H4	C2	H7	109.428	H5	C3	H8	109.428
H5	C3	H9	109.428	H6	C2	H7	110.533
H8	C3	H9	110.533

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: BLYP/6-311G*

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	0.075
2	C	-0.705
3	C	-0.705
4	H	0.224
5	H	0.224
6	H	0.221
7	H	0.221
8	H	0.221
9	H	0.221

<r²>	95.629
(<r²>)^1/2	9.779

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)