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	hartrees
Energy at 0K	-2479.036871
Energy at 298.15K	-2479.041114
HF Energy	-2479.036871
Nuclear repulsion energy	186.333872

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3304	3000	12.32
2	A₁	3197	2903	31.03
3	A₁	1578	1433	0.62
4	A₁	1432	1300	4.83
5	A₁	1058	961	20.50
6	A₁	630	572	0.99
7	A₁	229	208	0.01
8	A₂	3303	2999	0.00
9	A₂	1559	1416	0.00
10	A₂	968	879	0.00
11	A₂	162	148	0.00
12	B₁	3299	2995	26.78
13	B₁	1568	1424	13.38
14	B₁	996	905	9.67
15	B₁	164	149	0.45
16	B₂	3304	3000	4.35
17	B₂	3199	2905	41.86
18	B₂	1571	1427	14.33
19	B₂	1407	1278	19.79
20	B₂	926	841	0.34
21	B₂	651	591	0.16

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.468
C2	0.000	1.470	-0.810
C3	0.000	-1.470	-0.810
H4	0.000	2.395	-0.234
H5	0.000	-2.395	-0.234
H6	0.894	1.435	-1.431
H7	-0.894	1.435	-1.431
H8	-0.894	-1.435	-1.431
H9	0.894	-1.435	-1.431

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9481	1.9481	2.4955	2.4955	2.5425	2.5425	2.5425	2.5425
C2	1.9481		2.9408	1.0892	3.9079	1.0890	1.0890	3.1023	3.1023
C3	1.9481	2.9408		3.9079	1.0892	3.1023	3.1023	1.0890	1.0890
H4	2.4955	1.0892	3.9079		4.7896	1.7760	1.7760	4.1107	4.1107
H5	2.4955	3.9079	1.0892	4.7896		4.1107	4.1107	1.7760	1.7760
H6	2.5425	1.0890	3.1023	1.7760	4.1107		1.7872	3.3805	2.8695
H7	2.5425	1.0890	3.1023	1.7760	4.1107	1.7872		2.8695	3.3805
H8	2.5425	3.1023	1.0890	4.1107	1.7760	3.3805	2.8695		1.7872
H9	2.5425	3.1023	1.0890	4.1107	1.7760	2.8695	3.3805	1.7872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.076	Se1	C2	H6	110.461
Se1	C2	H7	110.461	Se1	C3	H5	107.076
Se1	C3	H8	110.461	Se1	C3	H9	110.461
C2	Se1	C3	98.014	H4	C2	H6	109.244
H4	C2	H7	109.244	H5	C3	H8	109.244
H5	C3	H9	109.244	H6	C2	H7	110.284
H8	C3	H9	110.284

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: HF/cc-pVDZ

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	-0.008
2	C	-0.205
3	C	-0.205
4	H	0.072
5	H	0.072
6	H	0.068
7	H	0.068
8	H	0.068
9	H	0.068

<r²>	92.576
(<r²>)^1/2	9.622

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: HF/cc-pVDZ

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)