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	hartrees
Energy at 0K	-2469.546958
Energy at 298.15K	-2469.550936
HF Energy	-2469.546958
Nuclear repulsion energy	181.701670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3085	3068	13.49
2	A₁	2997	2980	22.55
3	A₁	1510	1502	0.73
4	A₁	1351	1343	3.71
5	A₁	985	980	27.10
6	A₁	562	559	0.45
7	A₁	197	196	0.01
8	A₂	3083	3066	0.00
9	A₂	1491	1483	0.00
10	A₂	897	892	0.00
11	A₂	154	153	0.00
12	B₁	3079	3062	33.26
13	B₁	1498	1490	19.52
14	B₁	925	920	19.58
15	B₁	137	136	0.47
16	B₂	3085	3068	3.94
17	B₂	2999	2983	24.14
18	B₂	1502	1494	22.83
19	B₂	1328	1320	7.27
20	B₂	870	866	0.98
21	B₂	575	572	0.12

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.487
C2	0.000	1.501	-0.846
C3	0.000	-1.501	-0.846
H4	0.000	2.435	-0.266
H5	0.000	-2.435	-0.266
H6	0.902	1.457	-1.471
H7	-0.902	1.457	-1.471
H8	-0.902	-1.457	-1.471
H9	0.902	-1.457	-1.471

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		2.0072	2.0072	2.5486	2.5486	2.6019	2.6019	2.6019	2.6019
C2	2.0072		3.0019	1.0991	3.9782	1.0985	1.0985	3.1551	3.1551
C3	2.0072	3.0019		3.9782	1.0991	3.1551	3.1551	1.0985	1.0985
H4	2.5486	1.0991	3.9782		4.8696	1.7948	1.7948	4.1727	4.1727
H5	2.5486	3.9782	1.0991	4.8696		4.1727	4.1727	1.7948	1.7948
H6	2.6019	1.0985	3.1551	1.7948	4.1727		1.8046	3.4276	2.9140
H7	2.6019	1.0985	3.1551	1.7948	4.1727	1.8046		2.9140	3.4276
H8	2.6019	3.1551	1.0985	4.1727	1.7948	3.4276	2.9140		1.8046
H9	2.6019	3.1551	1.0985	4.1727	1.7948	2.9140	3.4276	1.8046

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.572	Se1	C2	H6	110.356
Se1	C2	H7	110.356	Se1	C3	H5	106.572
Se1	C3	H8	110.356	Se1	C3	H9	110.356
C2	Se1	C3	96.796	H4	C2	H6	109.514
H4	C2	H7	109.514	H5	C3	H8	109.514
H5	C3	H9	109.514	H6	C2	H7	110.446
H8	C3	H9	110.446

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: BLYP/3-21G

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	0.320
2	C	-0.788
3	C	-0.788
4	H	0.211
5	H	0.211
6	H	0.208
7	H	0.208
8	H	0.208
9	H	0.208

<r²>	96.039
(<r²>)^1/2	9.800

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)