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	hartrees
Energy at 0K	-2479.208176
Energy at 298.15K	-2479.212218
HF Energy	-2479.208176
Nuclear repulsion energy	184.799264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3225	3075	8.06
2	A₁	3106	2962	22.42
3	A₁	1527	1456	1.72
4	A₁	1382	1318	0.85
5	A₁	1021	973	30.56
6	A₁	576	550	0.54
7	A₁	220	209	0.01
8	A₂	3228	3078	0.00
9	A₂	1512	1442	0.00
10	A₂	901	860	0.00
11	A₂	143	136	0.00
12	B₁	3223	3074	22.70
13	B₁	1524	1454	28.55
14	B₁	939	896	19.78
15	B₁	147	141	0.30
16	B₂	3225	3076	2.51
17	B₂	3109	2965	21.85
18	B₂	1516	1446	24.55
19	B₂	1353	1290	1.80
20	B₂	896	854	0.71
21	B₂	590	563	0.22

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.483
C2	0.000	1.466	-0.838
C3	0.000	-1.466	-0.838
H4	0.000	2.400	-0.279
H5	0.000	-2.400	-0.279
H6	0.897	1.407	-1.450
H7	-0.897	1.407	-1.450
H8	-0.897	-1.407	-1.450
H9	0.897	-1.407	-1.450

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9725	1.9725	2.5184	2.5184	2.5535	2.5535	2.5535	2.5535
C2	1.9725		2.9311	1.0887	3.9059	1.0880	1.0880	3.0714	3.0714
C3	1.9725	2.9311		3.9059	1.0887	3.0714	3.0714	1.0880	1.0880
H4	2.5184	1.0887	3.9059		4.8006	1.7780	1.7780	4.0833	4.0833
H5	2.5184	3.9059	1.0887	4.8006		4.0833	4.0833	1.7780	1.7780
H6	2.5535	1.0880	3.0714	1.7780	4.0833		1.7948	3.3382	2.8146
H7	2.5535	1.0880	3.0714	1.7780	4.0833	1.7948		2.8146	3.3382
H8	2.5535	3.0714	1.0880	4.0833	1.7780	3.3382	2.8146		1.7948
H9	2.5535	3.0714	1.0880	4.0833	1.7780	2.8146	3.3382	1.7948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.151	Se1	C2	H6	109.689
Se1	C2	H7	109.689	Se1	C3	H5	107.151
Se1	C3	H8	109.689	Se1	C3	H9	109.689
C2	Se1	C3	95.976	H4	C2	H6	109.541
H4	C2	H7	109.541	H5	C3	H8	109.541
H5	C3	H9	109.541	H6	C2	H7	111.143
H8	C3	H9	111.143

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B1B95/6-31G

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	0.268
2	C	-0.738
3	C	-0.738
4	H	0.204
5	H	0.204
6	H	0.200
7	H	0.200
8	H	0.200
9	H	0.200

<r²>	93.279
(<r²>)^1/2	9.658

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B1B95/6-31G

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)