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	hartrees
Energy at 0K	-2480.870707
Energy at 298.15K	-2480.874635
HF Energy	-2480.870707
Nuclear repulsion energy	184.475450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3093	3074	9.39
2	A₁	2978	2959	25.16
3	A₁	1391	1382	0.55
4	A₁	1243	1236	1.82
5	A₁	932	926	13.49
6	A₁	576	573	0.25
7	A₁	202	201	0.02
8	A₂	3083	3064	0.00
9	A₂	1374	1365	0.00
10	A₂	849	844	0.00
11	A₂	144	143	0.00
12	B₁	3076	3057	13.74
13	B₁	1383	1374	11.16
14	B₁	880	874	9.32
15	B₁	143	143	0.28
16	B₂	3094	3075	1.90
17	B₂	2981	2963	21.62
18	B₂	1384	1375	14.73
19	B₂	1219	1212	7.42
20	B₂	817	812	0.40
21	B₂	589	586	0.96

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.479
C2	0.000	1.471	-0.828
C3	0.000	-1.471	-0.828
H4	0.000	2.413	-0.252
H5	0.000	-2.413	-0.252
H6	0.907	1.429	-1.457
H7	-0.907	1.429	-1.457
H8	-0.907	-1.429	-1.457
H9	0.907	-1.429	-1.457

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9681	1.9681	2.5213	2.5213	2.5708	2.5708	2.5708	2.5708
C2	1.9681		2.9430	1.1036	3.9269	1.1039	1.1039	3.1031	3.1031
C3	1.9681	2.9430		3.9269	1.1036	3.1031	3.1031	1.1039	1.1039
H4	2.5213	1.1036	3.9269		4.8260	1.8001	1.8001	4.1271	4.1271
H5	2.5213	3.9269	1.1036	4.8260		4.1271	4.1271	1.8001	1.8001
H6	2.5708	1.1039	3.1031	1.8001	4.1271		1.8134	3.3847	2.8580
H7	2.5708	1.1039	3.1031	1.8001	4.1271	1.8134		2.8580	3.3847
H8	2.5708	3.1031	1.1039	4.1271	1.8001	3.3847	2.8580		1.8134
H9	2.5708	3.1031	1.1039	4.1271	1.8001	2.8580	3.3847	1.8134

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.937	Se1	C2	H6	110.436
Se1	C2	H7	110.436	Se1	C3	H5	106.937
Se1	C3	H8	110.436	Se1	C3	H9	110.436
C2	Se1	C3	96.778	H4	C2	H6	109.256
H4	C2	H7	109.256	H5	C3	H8	109.256
H5	C3	H9	109.256	H6	C2	H7	110.441
H8	C3	H9	110.441

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: PBEPBEultrafine/aug-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	0.540
2	C	0.386
3	C	0.386
4	H	-0.283
5	H	-0.283
6	H	-0.187
7	H	-0.187
8	H	-0.187
9	H	-0.187

<r²>	93.999
(<r²>)^1/2	9.695

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)