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	hartrees
Energy at 0K	-2481.337524
Energy at 298.15K	-2481.341630
HF Energy	-2481.337524
Nuclear repulsion energy	186.271830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3180	3180	6.09
2	A₁	3079	3079	22.93
3	A₁	1506	1506	0.89
4	A₁	1356	1356	2.07
5	A₁	999	999	23.38
6	A₁	610	610	0.57
7	A₁	209	209	0.04
8	A₂	3179	3179	0.00
9	A₂	1490	1490	0.00
10	A₂	917	917	0.00
11	A₂	160	160	0.00
12	B₁	3173	3173	15.28
13	B₁	1500	1500	19.70
14	B₁	946	946	15.91
15	B₁	156	156	0.51
16	B₂	3181	3181	1.55
17	B₂	3083	3083	20.61
18	B₂	1498	1498	18.83
19	B₂	1333	1333	5.60
20	B₂	880	880	0.58
21	B₂	626	626	0.75

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.479
C2	0.000	1.450	-0.828
C3	0.000	-1.450	-0.828
H4	0.000	2.387	-0.275
H5	0.000	-2.387	-0.275
H6	0.894	1.399	-1.448
H7	-0.894	1.399	-1.448
H8	-0.894	-1.399	-1.448
H9	0.894	-1.399	-1.448

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9519	1.9519	2.5034	2.5034	2.5432	2.5432	2.5432	2.5432
C2	1.9519		2.8995	1.0884	3.8765	1.0887	1.0887	3.0493	3.0493
C3	1.9519	2.8995		3.8765	1.0884	3.0493	3.0493	1.0887	1.0887
H4	2.5034	1.0884	3.8765		4.7743	1.7750	1.7750	4.0631	4.0631
H5	2.5034	3.8765	1.0884	4.7743		4.0631	4.0631	1.7750	1.7750
H6	2.5432	1.0887	3.0493	1.7750	4.0631		1.7873	3.3201	2.7980
H7	2.5432	1.0887	3.0493	1.7750	4.0631	1.7873		2.7980	3.3201
H8	2.5432	3.0493	1.0887	4.0631	1.7750	3.3201	2.7980		1.7873
H9	2.5432	3.0493	1.0887	4.0631	1.7750	2.7980	3.3201	1.7873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.426	Se1	C2	H6	110.277
Se1	C2	H7	110.277	Se1	C3	H5	107.426
Se1	C3	H8	110.277	Se1	C3	H9	110.277
C2	Se1	C3	95.930	H4	C2	H6	109.233
H4	C2	H7	109.233	H5	C3	H8	109.233
H5	C3	H9	109.233	H6	C2	H7	110.336
H8	C3	H9	110.336

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: M06-2X/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	0.058
2	C	-0.788
3	C	-0.788
4	H	0.257
5	H	0.257
6	H	0.251
7	H	0.251
8	H	0.251
9	H	0.251

<r²>	92.399
(<r²>)^1/2	9.612

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: M06-2X/6-311G*

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)