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	hartrees
Energy at 0K	-2479.379090
Energy at 298.15K	-2479.383234
HF Energy	-2479.379090
Nuclear repulsion energy	186.893394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3144	3034	9.80
2	A₁	3047	2941	20.32
3	A₁	1485	1433	0.12
4	A₁	1324	1277	3.02
5	A₁	978	944	17.86
6	A₁	618	597	0.20
7	A₁	216	208	0.08
8	A₂	3138	3028	0.00
9	A₂	1466	1414	0.00
10	A₂	894	862	0.00
11	A₂	174	168	0.00
12	B₁	3133	3023	18.62
13	B₁	1475	1423	9.11
14	B₁	926	894	9.34
15	B₁	171	165	0.39
16	B₂	3144	3034	2.00
17	B₂	3050	2944	21.28
18	B₂	1480	1428	13.91
19	B₂	1298	1253	12.17
20	B₂	854	824	0.42
21	B₂	632	610	1.07

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.467
C2	0.000	1.463	-0.807
C3	0.000	-1.463	-0.807
H4	0.000	2.388	-0.227
H5	0.000	-2.388	-0.227
H6	0.894	1.437	-1.432
H7	-0.894	1.437	-1.432
H8	-0.894	-1.437	-1.432
H9	0.894	-1.437	-1.432

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9391	1.9391	2.4866	2.4866	2.5436	2.5436	2.5436	2.5436
C2	1.9391		2.9252	1.0915	3.8937	1.0916	1.0916	3.0985	3.0985
C3	1.9391	2.9252		3.8937	1.0915	3.0985	3.0985	1.0916	1.0916
H4	2.4866	1.0915	3.8937		4.7756	1.7760	1.7760	4.1088	4.1088
H5	2.4866	3.8937	1.0915	4.7756		4.1088	4.1088	1.7760	1.7760
H6	2.5436	1.0916	3.0985	1.7760	4.1088		1.7889	3.3859	2.8747
H7	2.5436	1.0916	3.0985	1.7760	4.1088	1.7889		2.8747	3.3859
H8	2.5436	3.0985	1.0916	4.1088	1.7760	3.3859	2.8747		1.7889
H9	2.5436	3.0985	1.0916	4.1088	1.7760	2.8747	3.3859	1.7889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.912	Se1	C2	H6	111.014
Se1	C2	H7	111.014	Se1	C3	H5	106.912
Se1	C3	H8	111.014	Se1	C3	H9	111.014
C2	Se1	C3	97.925	H4	C2	H6	108.877
H4	C2	H7	108.877	H5	C3	H8	108.877
H5	C3	H9	108.877	H6	C2	H7	110.051
H8	C3	H9	110.051

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B3LYP/6-31G(2df,p)

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	0.126
2	C	-0.494
3	C	-0.494
4	H	0.148
5	H	0.148
6	H	0.141
7	H	0.141
8	H	0.141
9	H	0.141

<r²>	91.757
(<r²>)^1/2	9.579

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)