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	hartrees
Energy at 0K	-2469.573079
Energy at 298.15K	-2469.577170
HF Energy	-2469.573079
Nuclear repulsion energy	184.169363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3176	3053	7.66
2	A₁	3077	2958	19.22
3	A₁	1538	1478	2.12
4	A₁	1393	1338	0.84
5	A₁	1020	980	32.56
6	A₁	602	579	0.36
7	A₁	206	198	0.00
8	A₂	3175	3052	0.00
9	A₂	1518	1459	0.00
10	A₂	930	894	0.00
11	A₂	154	148	0.00
12	B₁	3172	3048	21.13
13	B₁	1527	1467	29.02
14	B₁	959	922	22.30
15	B₁	145	139	0.57
16	B₂	3176	3053	1.75
17	B₂	3080	2960	19.26
18	B₂	1528	1469	27.44
19	B₂	1369	1316	1.13
20	B₂	901	866	1.40
21	B₂	618	594	0.40

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.481
C2	0.000	1.475	-0.834
C3	0.000	-1.475	-0.834
H4	0.000	2.409	-0.266
H5	0.000	-2.409	-0.266
H6	0.897	1.432	-1.457
H7	-0.897	1.432	-1.457
H8	-0.897	-1.432	-1.457
H9	0.897	-1.432	-1.457

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9766	1.9766	2.5225	2.5225	2.5710	2.5710	2.5710	2.5710
C2	1.9766		2.9507	1.0932	3.9260	1.0926	1.0926	3.1053	3.1053
C3	1.9766	2.9507		3.9260	1.0932	3.1053	3.1053	1.0926	1.0926
H4	2.5225	1.0932	3.9260		4.8186	1.7826	1.7826	4.1202	4.1202
H5	2.5225	3.9260	1.0932	4.8186		4.1202	4.1202	1.7826	1.7826
H6	2.5710	1.0926	3.1053	1.7826	4.1202		1.7933	3.3787	2.8635
H7	2.5710	1.0926	3.1053	1.7826	4.1202	1.7933		2.8635	3.3787
H8	2.5710	3.1053	1.0926	4.1202	1.7826	3.3787	2.8635		1.7933
H9	2.5710	3.1053	1.0926	4.1202	1.7826	2.8635	3.3787	1.7933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.968	Se1	C2	H6	110.458
Se1	C2	H7	110.458	Se1	C3	H5	106.968
Se1	C3	H8	110.458	Se1	C3	H9	110.458
C2	Se1	C3	96.563	H4	C2	H6	109.288
H4	C2	H7	109.288	H5	C3	H8	109.288
H5	C3	H9	109.288	H6	C2	H7	110.308
H8	C3	H9	110.308

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B3PW91/3-21G

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	0.360
2	C	-0.916
3	C	-0.916
4	H	0.248
5	H	0.248
6	H	0.244
7	H	0.244
8	H	0.244
9	H	0.244

<r²>	93.901
(<r²>)^1/2	9.690

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B3PW91/3-21G

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)