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	hartrees
Energy at 0K	-2480.357296
Energy at 298.15K	-2480.361285
HF Energy	-2480.357296
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3118	3057	15.74
2	A₁	3011	2952	26.69
3	A₁	1487	1458	0.00
4	A₁	1319	1293	5.67
5	A₁	977	957	20.50
6	A₁	547	536	0.56
7	A₁	216	212	0.10
8	A₂	3114	3053	0.00
9	A₂	1468	1439	0.00
10	A₂	877	860	0.00
11	A₂	159	156	0.00
12	B₁	3109	3048	29.58
13	B₁	1480	1451	10.49
14	B₁	915	897	13.48
15	B₁	161	158	0.34
16	B₂	3119	3057	5.44
17	B₂	3014	2955	28.42
18	B₂	1480	1451	15.39
19	B₂	1293	1267	15.85
20	B₂	857	840	0.70
21	B₂	560	549	0.27

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.481
C2	0.000	1.472	-0.834
C3	0.000	-1.472	-0.834
H4	0.000	2.408	-0.263
H5	0.000	-2.408	-0.263
H6	0.902	1.419	-1.454
H7	-0.902	1.419	-1.454
H8	-0.902	-1.419	-1.454
H9	0.902	-1.419	-1.454

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9733	1.9733	2.5198	2.5198	2.5633	2.5633	2.5633	2.5633
C2	1.9733		2.9439	1.0962	3.9214	1.0961	1.0961	3.0914	3.0914
C3	1.9733	2.9439		3.9214	1.0962	3.0914	3.0914	1.0961	1.0961
H4	2.5198	1.0962	3.9214		4.8153	1.7918	1.7918	4.1082	4.1082
H5	2.5198	3.9214	1.0962	4.8153		4.1082	4.1082	1.7918	1.7918
H6	2.5633	1.0961	3.0914	1.7918	4.1082		1.8043	3.3632	2.8382
H7	2.5633	1.0961	3.0914	1.7918	4.1082	1.8043		2.8382	3.3632
H8	2.5633	3.0914	1.0961	4.1082	1.7918	3.3632	2.8382		1.8043
H9	2.5633	3.0914	1.0961	4.1082	1.7918	2.8382	3.3632	1.8043

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.849	Se1	C2	H6	109.937
Se1	C2	H7	109.937	Se1	C3	H5	106.849
Se1	C3	H8	109.937	Se1	C3	H9	109.937
C2	Se1	C3	96.480	H4	C2	H6	109.628
H4	C2	H7	109.628	H5	C3	H8	109.628
H5	C3	H9	109.628	H6	C2	H7	110.779
H8	C3	H9	110.779

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B97D3/6-31G*

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	-0.007
2	C	-0.535
3	C	-0.535
4	H	0.182
5	H	0.182
6	H	0.178
7	H	0.178
8	H	0.178
9	H	0.178

<r²>	93.288
(<r²>)^1/2	9.659

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)