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	hartrees
Energy at 0K	-2480.955697
Energy at 298.15K	-2480.959750
HF Energy	-2480.955697
Nuclear repulsion energy	186.136025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3178	3058	8.50
2	A₁	3060	2944	24.42
3	A₁	1441	1386	0.83
4	A₁	1294	1245	1.29
5	A₁	968	932	15.08
6	A₁	606	583	0.25
7	A₁	209	201	0.02
8	A₂	3169	3050	0.00
9	A₂	1422	1368	0.00
10	A₂	883	850	0.00
11	A₂	153	147	0.00
12	B₁	3163	3043	12.88
13	B₁	1431	1377	12.59
14	B₁	913	878	9.10
15	B₁	151	146	0.32
16	B₂	3179	3059	2.01
17	B₂	3064	2948	21.76
18	B₂	1434	1379	14.76
19	B₂	1270	1222	6.32
20	B₂	848	816	0.38
21	B₂	621	598	0.84

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.474
C2	0.000	1.458	-0.820
C3	0.000	-1.458	-0.820
H4	0.000	2.395	-0.251
H5	0.000	-2.395	-0.251
H6	0.900	1.416	-1.444
H7	-0.900	1.416	-1.444
H8	-0.900	-1.416	-1.444
H9	0.900	-1.416	-1.444

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9494	1.9494	2.5025	2.5025	2.5483	2.5483	2.5483	2.5483
C2	1.9494		2.9163	1.0961	3.8950	1.0963	1.0963	3.0754	3.0754
C3	1.9494	2.9163		3.8950	1.0961	3.0754	3.0754	1.0963	1.0963
H4	2.5025	1.0961	3.8950		4.7904	1.7870	1.7870	4.0934	4.0934
H5	2.5025	3.8950	1.0961	4.7904		4.0934	4.0934	1.7870	1.7870
H6	2.5483	1.0963	3.0754	1.7870	4.0934		1.8002	3.3550	2.8312
H7	2.5483	1.0963	3.0754	1.7870	4.0934	1.8002		2.8312	3.3550
H8	2.5483	3.0754	1.0963	4.0934	1.7870	3.3550	2.8312		1.8002
H9	2.5483	3.0754	1.0963	4.0934	1.7870	2.8312	3.3550	1.8002

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.166	Se1	C2	H6	110.428
Se1	C2	H7	110.428	Se1	C3	H5	107.166
Se1	C3	H8	110.428	Se1	C3	H9	110.428
C2	Se1	C3	96.835	H4	C2	H6	109.189
H4	C2	H7	109.189	H5	C3	H8	109.189
H5	C3	H9	109.189	H6	C2	H7	110.369
H8	C3	H9	110.369

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: HSEh1PBE/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	0.596
2	C	0.236
3	C	0.236
4	H	-0.235
5	H	-0.235
6	H	-0.149
7	H	-0.149
8	H	-0.149
9	H	-0.149

<r²>	92.535
(<r²>)^1/2	9.620

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: HSEh1PBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)