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	hartrees
Energy at 0K	-2478.690260
Energy at 298.15K	-2478.694244
HF Energy	-2478.690260
Nuclear repulsion energy	184.960337

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3109	3057	10.11
2	A₁	3002	2953	21.79
3	A₁	1467	1442	0.07
4	A₁	1305	1283	3.55
5	A₁	967	951	23.01
6	A₁	569	559	0.38
7	A₁	212	208	0.10
8	A₂	3104	3053	0.00
9	A₂	1447	1423	0.00
10	A₂	864	850	0.00
11	A₂	159	156	0.00
12	B₁	3098	3047	19.02
13	B₁	1459	1435	12.98
14	B₁	904	889	14.89
15	B₁	155	152	0.42
16	B₂	3109	3058	1.96
17	B₂	3006	2956	20.92
18	B₂	1459	1434	18.58
19	B₂	1278	1257	9.57
20	B₂	845	831	0.85
21	B₂	581	572	0.71

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.475
C2	0.000	1.472	-0.824
C3	0.000	-1.472	-0.824
H4	0.000	2.406	-0.242
H5	0.000	-2.406	-0.242
H6	0.905	1.432	-1.448
H7	-0.905	1.432	-1.448
H8	-0.905	-1.432	-1.448
H9	0.905	-1.432	-1.448

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9632	1.9632	2.5103	2.5103	2.5626	2.5626	2.5626	2.5626
C2	1.9632		2.9440	1.1002	3.9211	1.1001	1.1001	3.1049	3.1049
C3	1.9632	2.9440		3.9211	1.1002	3.1049	3.1049	1.1001	1.1001
H4	2.5103	1.1002	3.9211		4.8114	1.7950	1.7950	4.1230	4.1230
H5	2.5103	3.9211	1.1002	4.8114		4.1230	4.1230	1.7950	1.7950
H6	2.5626	1.1001	3.1049	1.7950	4.1230		1.8103	3.3877	2.8634
H7	2.5626	1.1001	3.1049	1.7950	4.1230	1.8103		2.8634	3.3877
H8	2.5626	3.1049	1.1001	4.1230	1.7950	3.3877	2.8634		1.8103
H9	2.5626	3.1049	1.1001	4.1230	1.7950	2.8634	3.3877	1.8103

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.642	Se1	C2	H6	110.355
Se1	C2	H7	110.355	Se1	C3	H5	106.642
Se1	C3	H8	110.355	Se1	C3	H9	110.355
C2	Se1	C3	97.146	H4	C2	H6	109.334
H4	C2	H7	109.334	H5	C3	H8	109.334
H5	C3	H9	109.334	H6	C2	H7	110.726
H8	C3	H9	110.726

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: PBEPBEultrafine/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	0.004
2	C	-0.571
3	C	-0.571
4	H	0.192
5	H	0.192
6	H	0.188
7	H	0.188
8	H	0.188
9	H	0.188

<r²>	93.071
(<r²>)^1/2	9.647

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)