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	hartrees
Energy at 0K	-89.157727
Energy at 298.15K	-89.161672
HF Energy	-89.157727
Nuclear repulsion energy	58.917535

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3183	3059	21.64
2	A₁	3063	2945	31.67
3	A₁	1503	1445	2.72
4	A₁	1360	1308	1.05
5	A₁	1006	967	32.66
6	A₁	558	536	0.45
7	A₁	204	196	0.17
8	A₂	3184	3061	0.00
9	A₂	1486	1428	0.00
10	A₂	915	879	0.00
11	A₂	127	122	0.00
12	B₁	3181	3058	51.01
13	B₁	1494	1436	26.21
14	B₁	949	912	30.90
15	B₁	137	132	0.32
16	B₂	3182	3059	8.02
17	B₂	3066	2948	40.83
18	B₂	1496	1438	19.71
19	B₂	1338	1286	0.86
20	B₂	883	849	1.16
21	B₂	578	556	0.34

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.486
C2	0.000	1.497	-0.844
C3	0.000	-1.497	-0.844
H4	0.000	2.429	-0.271
H5	0.000	-2.429	-0.271
H6	0.899	1.445	-1.465
H7	-0.899	1.445	-1.465
H8	-0.899	-1.445	-1.465
H9	0.899	-1.445	-1.465

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		2.0030	2.0030	2.5443	2.5443	2.5891	2.5891	2.5891	2.5891
C2	2.0030		2.9942	1.0942	3.9678	1.0935	1.0935	3.1388	3.1388
C3	2.0030	2.9942		3.9678	1.0942	3.1388	3.1388	1.0935	1.0935
H4	2.5443	1.0942	3.9678		4.8581	1.7890	1.7890	4.1527	4.1527
H5	2.5443	3.9678	1.0942	4.8581		4.1527	4.1527	1.7890	1.7890
H6	2.5891	1.0935	3.1388	1.7890	4.1527		1.7983	3.4046	2.8909
H7	2.5891	1.0935	3.1388	1.7890	4.1527	1.7983		2.8909	3.4046
H8	2.5891	3.1388	1.0935	4.1527	1.7890	3.4046	2.8909		1.7983
H9	2.5891	3.1388	1.0935	4.1527	1.7890	2.8909	3.4046	1.7983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.766	Se1	C2	H6	109.965
Se1	C2	H7	109.965	Se1	C3	H5	106.766
Se1	C3	H8	109.965	Se1	C3	H9	109.965
C2	Se1	C3	96.739	H4	C2	H6	109.720
H4	C2	H7	109.720	H5	C3	H8	109.720
H5	C3	H9	109.720	H6	C2	H7	110.627
H8	C3	H9	110.627

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B3LYP/SDD

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	0.200
2	C	-0.831
3	C	-0.831
4	H	0.238
5	H	0.238
6	H	0.246
7	H	0.246
8	H	0.246
9	H	0.246

<r²>	86.616
(<r²>)^1/2	9.307

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)