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	hartrees
Energy at 0K	-2479.142443
Energy at 298.15K	-2479.146694
HF Energy	-2479.142443
Nuclear repulsion energy	186.885182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3274	2961	14.24
2	A₁	3183	2879	31.04
3	A₁	1600	1447	1.10
4	A₁	1450	1312	3.60
5	A₁	1068	966	17.97
6	A₁	635	575	0.54
7	A₁	227	205	0.00
8	A₂	3271	2959	0.00
9	A₂	1580	1429	0.00
10	A₂	979	886	0.00
11	A₂	163	148	0.00
12	B₁	3267	2955	22.39
13	B₁	1589	1437	11.72
14	B₁	1007	911	6.69
15	B₁	164	148	0.25
16	B₂	3274	2961	5.28
17	B₂	3185	2881	35.80
18	B₂	1593	1441	12.34
19	B₂	1428	1292	14.44
20	B₂	936	847	0.10
21	B₂	657	595	0.15

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.466
C2	0.000	1.470	-0.807
C3	0.000	-1.470	-0.807
H4	0.000	2.386	-0.236
H5	0.000	-2.386	-0.236
H6	0.886	1.432	-1.423
H7	-0.886	1.432	-1.423
H8	-0.886	-1.432	-1.423
H9	0.886	-1.432	-1.423

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9448	1.9448	2.4873	2.4873	2.5311	2.5311	2.5311	2.5311
C2	1.9448		2.9395	1.0798	3.8979	1.0795	1.0795	3.0962	3.0962
C3	1.9448	2.9395		3.8979	1.0798	3.0962	3.0962	1.0795	1.0795
H4	2.4873	1.0798	3.8979		4.7721	1.7616	1.7616	4.0957	4.0957
H5	2.4873	3.8979	1.0798	4.7721		4.0957	4.0957	1.7616	1.7616
H6	2.5311	1.0795	3.0962	1.7616	4.0957		1.7716	3.3684	2.8648
H7	2.5311	1.0795	3.0962	1.7616	4.0957	1.7716		2.8648	3.3684
H8	2.5311	3.0962	1.0795	4.0957	1.7616	3.3684	2.8648		1.7716
H9	2.5311	3.0962	1.0795	4.0957	1.7616	2.8648	3.3684	1.7716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.148	Se1	C2	H6	110.330
Se1	C2	H7	110.330	Se1	C3	H5	107.148
Se1	C3	H8	110.330	Se1	C3	H9	110.330
C2	Se1	C3	98.181	H4	C2	H6	109.341
H4	C2	H7	109.341	H5	C3	H8	109.341
H5	C3	H9	109.341	H6	C2	H7	110.286
H8	C3	H9	110.286

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: HF/daug-cc-pVTZ

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	-0.200
2	C	-1.180
3	C	-1.180
4	H	0.418
5	H	0.418
6	H	0.431
7	H	0.431
8	H	0.431
9	H	0.431

<r²>	92.306
(<r²>)^1/2	9.608

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)