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	hartrees
Energy at 0K	-2479.184837
Energy at 298.15K	-2479.188759
HF Energy	-2479.184837
Nuclear repulsion energy	183.157335

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3076	3059	12.81
2	A₁	2978	2962	29.58
3	A₁	1451	1443	0.66
4	A₁	1298	1291	5.98
5	A₁	966	961	18.93
6	A₁	544	542	0.27
7	A₁	198	197	0.03
8	A₂	3070	3054	0.00
9	A₂	1433	1426	0.00
10	A₂	888	883	0.00
11	A₂	146	145	0.00
12	B₁	3063	3047	17.20
13	B₁	1444	1437	13.26
14	B₁	918	913	12.18
15	B₁	146	145	0.35
16	B₂	3076	3060	4.68
17	B₂	2981	2965	28.82
18	B₂	1444	1437	17.33
19	B₂	1274	1267	12.18
20	B₂	852	847	0.13
21	B₂	552	549	0.91

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.481
C2	0.000	1.490	-0.833
C3	0.000	-1.490	-0.833
H4	0.000	2.423	-0.252
H5	0.000	-2.423	-0.252
H6	0.902	1.449	-1.460
H7	-0.902	1.449	-1.460
H8	-0.902	-1.449	-1.460
H9	0.902	-1.449	-1.460

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9869	1.9869	2.5316	2.5316	2.5846	2.5846	2.5846	2.5846
C2	1.9869		2.9805	1.0992	3.9563	1.0991	1.0991	3.1377	3.1377
C3	1.9869	2.9805		3.9563	1.0992	3.1377	3.1377	1.0991	1.0991
H4	2.5316	1.0992	3.9563		4.8463	1.7950	1.7950	4.1552	4.1552
H5	2.5316	3.9563	1.0992	4.8463		4.1552	4.1552	1.7950	1.7950
H6	2.5846	1.0991	3.1377	1.7950	4.1552		1.8040	3.4135	2.8979
H7	2.5846	1.0991	3.1377	1.7950	4.1552	1.8040		2.8979	3.4135
H8	2.5846	3.1377	1.0991	4.1552	1.7950	3.4135	2.8979		1.8040
H9	2.5846	3.1377	1.0991	4.1552	1.7950	2.8979	3.4135	1.8040

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.665	Se1	C2	H6	110.423
Se1	C2	H7	110.423	Se1	C3	H5	106.665
Se1	C3	H8	110.423	Se1	C3	H9	110.423
C2	Se1	C3	97.184	H4	C2	H6	109.475
H4	C2	H7	109.475	H5	C3	H8	109.475
H5	C3	H9	109.475	H6	C2	H7	110.304
H8	C3	H9	110.304

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: BLYP/6-31+G**

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	-0.006
2	C	-0.500
3	C	-0.500
4	H	0.166
5	H	0.166
6	H	0.168
7	H	0.168
8	H	0.168
9	H	0.168

<r²>	95.347
(<r²>)^1/2	9.765

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)