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	hartrees
Energy at 0K	-2482.629277
Energy at 298.15K	-2482.633261
HF Energy	-2482.629277
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3097	3050	12.75
2	A₁	2995	2949	28.40
3	A₁	1449	1427	0.43
4	A₁	1285	1266	2.70
5	A₁	957	943	12.64
6	A₁	557	548	0.26
7	A₁	210	207	0.03
8	A₂	3090	3043	0.00
9	A₂	1431	1409	0.00
10	A₂	878	865	0.00
11	A₂	153	150	0.00
12	B₁	3083	3036	18.38
13	B₁	1439	1417	9.77
14	B₁	906	893	8.16
15	B₁	150	148	0.24
16	B₂	3098	3050	3.53
17	B₂	2998	2953	26.99
18	B₂	1443	1421	13.16
19	B₂	1264	1244	10.42
20	B₂	844	831	0.28
21	B₂	570	561	0.66

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.480
C2	0.000	1.470	-0.833
C3	0.000	-1.470	-0.833
H4	0.000	2.402	-0.266
H5	0.000	-2.402	-0.266
H6	0.897	1.415	-1.452
H7	-0.897	1.415	-1.452
H8	-0.897	-1.415	-1.452
H9	0.897	-1.415	-1.452

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9708	1.9708	2.5154	2.5154	2.5578	2.5578	2.5578	2.5578
C2	1.9708		2.9394	1.0914	3.9132	1.0915	1.0915	3.0842	3.0842
C3	1.9708	2.9394		3.9132	1.0914	3.0842	3.0842	1.0915	1.0915
H4	2.5154	1.0914	3.9132		4.8045	1.7849	1.7849	4.0972	4.0972
H5	2.5154	3.9132	1.0914	4.8045		4.0972	4.0972	1.7849	1.7849
H6	2.5578	1.0915	3.0842	1.7849	4.0972		1.7947	3.3519	2.8309
H7	2.5578	1.0915	3.0842	1.7849	4.0972	1.7947		2.8309	3.3519
H8	2.5578	3.0842	1.0915	4.0972	1.7849	3.3519	2.8309		1.7947
H9	2.5578	3.0842	1.0915	4.0972	1.7849	2.8309	3.3519	1.7947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.917	Se1	C2	H6	109.929
Se1	C2	H7	109.929	Se1	C3	H5	106.917
Se1	C3	H8	109.929	Se1	C3	H9	109.929
C2	Se1	C3	96.441	H4	C2	H6	109.702
H4	C2	H7	109.702	H5	C3	H8	109.702
H5	C3	H9	109.702	H6	C2	H7	110.591
H8	C3	H9	110.591

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B97D3/aug-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	0.220
2	C	-0.547
3	C	-0.547
4	H	0.101
5	H	0.101
6	H	0.168
7	H	0.168
8	H	0.168
9	H	0.168

<r²>	93.556
(<r²>)^1/2	9.672

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)