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	hartrees
Energy at 0K	-89.135773
Energy at 298.15K	-89.139815
HF Energy	-89.135773
Nuclear repulsion energy	59.405984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3215	3215	18.48
2	A₁	3086	3086	38.26
3	A₁	1516	1516	3.28
4	A₁	1392	1392	0.34
5	A₁	1027	1027	33.51
6	A₁	600	600	0.32
7	A₁	218	218	0.09
8	A₂	3209	3209	0.00
9	A₂	1502	1502	0.00
10	A₂	933	933	0.00
11	A₂	122	122	0.00
12	B₁	3205	3205	50.13
13	B₁	1512	1512	29.34
14	B₁	965	965	29.71
15	B₁	144	144	0.29
16	B₂	3214	3214	9.87
17	B₂	3090	3090	44.89
18	B₂	1508	1508	19.65
19	B₂	1370	1370	0.20
20	B₂	906	906	0.94
21	B₂	621	621	0.51

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.485
C2	0.000	1.473	-0.840
C3	0.000	-1.473	-0.840
H4	0.000	2.413	-0.284
H5	0.000	-2.413	-0.284
H6	0.896	1.418	-1.462
H7	-0.896	1.418	-1.462
H8	-0.896	-1.418	-1.462
H9	0.896	-1.418	-1.462

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9818	1.9818	2.5321	2.5321	2.5699	2.5699	2.5699	2.5699
C2	1.9818		2.9462	1.0920	3.9253	1.0918	1.0918	3.0896	3.0896
C3	1.9818	2.9462		3.9253	1.0920	3.0896	3.0896	1.0918	1.0918
H4	2.5321	1.0920	3.9253		4.8250	1.7835	1.7835	4.1062	4.1062
H5	2.5321	3.9253	1.0920	4.8250		4.1062	4.1062	1.7835	1.7835
H6	2.5699	1.0918	3.0896	1.7835	4.1062		1.7919	3.3540	2.8353
H7	2.5699	1.0918	3.0896	1.7835	4.1062	1.7919		2.8353	3.3540
H8	2.5699	3.0896	1.0918	4.1062	1.7835	3.3540	2.8353		1.7919
H9	2.5699	3.0896	1.0918	4.1062	1.7835	2.8353	3.3540	1.7919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.361	Se1	C2	H6	110.063
Se1	C2	H7	110.063	Se1	C3	H5	107.361
Se1	C3	H8	110.063	Se1	C3	H9	110.063
C2	Se1	C3	96.029	H4	C2	H6	109.508
H4	C2	H7	109.508	H5	C3	H8	109.508
H5	C3	H9	109.508	H6	C2	H7	110.285
H8	C3	H9	110.285

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: wB97X-D/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	0.234
2	C	-0.866
3	C	-0.866
4	H	0.246
5	H	0.246
6	H	0.252
7	H	0.252
8	H	0.252
9	H	0.252

<r²>	85.078
(<r²>)^1/2	9.224

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: wB97X-D/SDD

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)