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	hartrees
Energy at 0K	-2481.384959
Energy at 298.15K	-2481.389060
HF Energy	-2481.384959
Nuclear repulsion energy	186.334176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3169	3169	11.95
2	A₁	3063	3063	29.71
3	A₁	1500	1500	1.03
4	A₁	1359	1359	1.51
5	A₁	1000	1000	24.11
6	A₁	614	614	0.24
7	A₁	219	219	0.00
8	A₂	3161	3161	0.00
9	A₂	1487	1487	0.00
10	A₂	908	908	0.00
11	A₂	148	148	0.00
12	B₁	3155	3155	25.34
13	B₁	1497	1497	19.84
14	B₁	937	937	16.22
15	B₁	155	155	0.37
16	B₂	3169	3169	5.64
17	B₂	3066	3066	29.00
18	B₂	1492	1492	18.50
19	B₂	1337	1337	4.91
20	B₂	881	881	0.58
21	B₂	629	629	0.97

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.477
C2	0.000	1.452	-0.824
C3	0.000	-1.452	-0.824
H4	0.000	2.390	-0.270
H5	0.000	-2.390	-0.270
H6	0.894	1.406	-1.447
H7	-0.894	1.406	-1.447
H8	-0.894	-1.406	-1.447
H9	0.894	-1.406	-1.447

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9495	1.9495	2.5044	2.5044	2.5447	2.5447	2.5447	2.5447
C2	1.9495		2.9033	1.0900	3.8818	1.0900	1.0900	3.0578	3.0578
C3	1.9495	2.9033		3.8818	1.0900	3.0578	3.0578	1.0900	1.0900
H4	2.5044	1.0900	3.8818		4.7807	1.7755	1.7755	4.0734	4.0734
H5	2.5044	3.8818	1.0900	4.7807		4.0734	4.0734	1.7755	1.7755
H6	2.5447	1.0900	3.0578	1.7755	4.0734		1.7872	3.3312	2.8113
H7	2.5447	1.0900	3.0578	1.7755	4.0734	1.7872		2.8113	3.3312
H8	2.5447	3.0578	1.0900	4.0734	1.7755	3.3312	2.8113		1.7872
H9	2.5447	3.0578	1.0900	4.0734	1.7755	2.8113	3.3312	1.7872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.580	Se1	C2	H6	110.475
Se1	C2	H7	110.475	Se1	C3	H5	107.580
Se1	C3	H8	110.475	Se1	C3	H9	110.475
C2	Se1	C3	96.255	H4	C2	H6	109.065
H4	C2	H7	109.065	H5	C3	H8	109.065
H5	C3	H9	109.065	H6	C2	H7	110.122
H8	C3	H9	110.122

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: wB97X-D/6-311G*

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	0.073
2	C	-0.770
3	C	-0.770
4	H	0.249
5	H	0.249
6	H	0.242
7	H	0.242
8	H	0.242
9	H	0.242

<r²>	92.241
(<r²>)^1/2	9.604

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: wB97X-D/6-311G*

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)