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	hartrees
Energy at 0K	-2479.334396
Energy at 298.15K	-2479.338500
HF Energy	-2479.334396
Nuclear repulsion energy	186.769681

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3200	3045	8.49
2	A₁	3088	2939	21.05
3	A₁	1500	1427	0.21
4	A₁	1346	1281	2.96
5	A₁	998	949	23.23
6	A₁	598	569	0.40
7	A₁	219	208	0.07
8	A₂	3200	3045	0.00
9	A₂	1480	1408	0.00
10	A₂	899	856	0.00
11	A₂	162	154	0.00
12	B₁	3194	3039	15.76
13	B₁	1492	1419	13.41
14	B₁	937	892	13.61
15	B₁	163	155	0.45
16	B₂	3201	3046	1.50
17	B₂	3091	2941	21.56
18	B₂	1491	1419	17.40
19	B₂	1320	1256	8.11
20	B₂	872	830	0.79
21	B₂	613	583	0.73

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.469
C2	0.000	1.461	-0.813
C3	0.000	-1.461	-0.813
H4	0.000	2.386	-0.236
H5	0.000	-2.386	-0.236
H6	0.897	1.423	-1.431
H7	-0.897	1.423	-1.431
H8	-0.897	-1.423	-1.431
H9	0.897	-1.423	-1.431

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9434	1.9434	2.4881	2.4881	2.5372	2.5372	2.5372	2.5372
C2	1.9434		2.9221	1.0900	3.8901	1.0898	1.0898	3.0830	3.0830
C3	1.9434	2.9221		3.8901	1.0900	3.0830	3.0830	1.0898	1.0898
H4	2.4881	1.0900	3.8901		4.7723	1.7771	1.7771	4.0917	4.0917
H5	2.4881	3.8901	1.0900	4.7723		4.0917	4.0917	1.7771	1.7771
H6	2.5372	1.0898	3.0830	1.7771	4.0917		1.7935	3.3643	2.8463
H7	2.5372	1.0898	3.0830	1.7771	4.0917	1.7935		2.8463	3.3643
H8	2.5372	3.0830	1.0898	4.0917	1.7771	3.3643	2.8463		1.7935
H9	2.5372	3.0830	1.0898	4.0917	1.7771	2.8463	3.3643	1.7935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.821	Se1	C2	H6	110.353
Se1	C2	H7	110.353	Se1	C3	H5	106.821
Se1	C3	H8	110.353	Se1	C3	H9	110.353
C2	Se1	C3	97.494	H4	C2	H6	109.234
H4	C2	H7	109.234	H5	C3	H8	109.234
H5	C3	H9	109.234	H6	C2	H7	110.751
H8	C3	H9	110.751

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: mPW1PW91/6-31G**

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	-0.016
2	C	-0.481
3	C	-0.481
4	H	0.166
5	H	0.166
6	H	0.162
7	H	0.162
8	H	0.162
9	H	0.162

<r²>	91.653
(<r²>)^1/2	9.574

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)