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	hartrees
Energy at 0K	-2480.870497
Energy at 298.15K	-2480.874475
HF Energy	-2480.870497
Nuclear repulsion energy	184.585825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3085	3053	13.22
2	A₁	2982	2951	27.94
3	A₁	1449	1434	0.49
4	A₁	1291	1278	2.49
5	A₁	955	945	23.19
6	A₁	571	565	0.25
7	A₁	203	201	0.03
8	A₂	3079	3047	0.00
9	A₂	1431	1416	0.00
10	A₂	873	864	0.00
11	A₂	159	157	0.00
12	B₁	3072	3040	25.14
13	B₁	1440	1425	18.75
14	B₁	904	895	17.31
15	B₁	149	147	0.47
16	B₂	3085	3053	3.70
17	B₂	2986	2955	25.96
18	B₂	1442	1427	21.02
19	B₂	1269	1255	5.29
20	B₂	838	830	0.58
21	B₂	584	578	1.16

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.479
C2	0.000	1.470	-0.830
C3	0.000	-1.470	-0.830
H4	0.000	2.408	-0.259
H5	0.000	-2.408	-0.259
H6	0.901	1.429	-1.456
H7	-0.901	1.429	-1.456
H8	-0.901	-1.429	-1.456
H9	0.901	-1.429	-1.456

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9689	1.9689	2.5182	2.5182	2.5690	2.5690	2.5690	2.5690
C2	1.9689		2.9405	1.0978	3.9197	1.0979	1.0979	3.1001	3.1001
C3	1.9689	2.9405		3.9197	1.0978	3.1001	3.1001	1.0979	1.0979
H4	2.5182	1.0978	3.9197		4.8151	1.7895	1.7895	4.1190	4.1190
H5	2.5182	3.9197	1.0978	4.8151		4.1190	4.1190	1.7895	1.7895
H6	2.5690	1.0979	3.1001	1.7895	4.1190		1.8027	3.3794	2.8585
H7	2.5690	1.0979	3.1001	1.7895	4.1190	1.8027		2.8585	3.3794
H8	2.5690	3.1001	1.0979	4.1190	1.7895	3.3794	2.8585		1.8027
H9	2.5690	3.1001	1.0979	4.1190	1.7895	2.8585	3.3794	1.8027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.938	Se1	C2	H6	110.551
Se1	C2	H7	110.551	Se1	C3	H5	106.938
Se1	C3	H8	110.551	Se1	C3	H9	110.551
C2	Se1	C3	96.618	H4	C2	H6	109.178
H4	C2	H7	109.178	H5	C3	H8	109.178
H5	C3	H9	109.178	H6	C2	H7	110.365
H8	C3	H9	110.365

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: PBEPBE/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	0.074
2	C	-0.763
3	C	-0.763
4	H	0.245
5	H	0.245
6	H	0.240
7	H	0.240
8	H	0.240
9	H	0.240

<r²>	93.772
(<r²>)^1/2	9.684

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: PBEPBE/6-311G*

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)