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	hartrees
Energy at 0K	-2481.390198
Energy at 298.15K	-2481.394253
HF Energy	-2481.390198
Nuclear repulsion energy	185.883149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3160	3047	9.15
2	A₁	3057	2948	24.24
3	A₁	1478	1425	1.16
4	A₁	1326	1278	3.06
5	A₁	982	947	21.65
6	A₁	592	571	0.26
7	A₁	208	201	0.02
8	A₂	3157	3044	0.00
9	A₂	1457	1405	0.00
10	A₂	897	865	0.00
11	A₂	155	150	0.00
12	B₁	3151	3039	17.23
13	B₁	1465	1413	14.73
14	B₁	928	895	13.96
15	B₁	150	145	0.57
16	B₂	3161	3048	1.90
17	B₂	3060	2951	23.38
18	B₂	1471	1418	17.75
19	B₂	1304	1257	5.74
20	B₂	862	831	0.15
21	B₂	607	585	1.00

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.472
C2	0.000	1.468	-0.818
C3	0.000	-1.468	-0.818
H4	0.000	2.393	-0.242
H5	0.000	-2.393	-0.242
H6	0.895	1.432	-1.438
H7	-0.895	1.432	-1.438
H8	-0.895	-1.432	-1.438
H9	0.895	-1.432	-1.438

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9547	1.9547	2.4973	2.4973	2.5496	2.5496	2.5496	2.5496
C2	1.9547		2.9368	1.0895	3.9042	1.0893	1.0893	3.0979	3.0979
C3	1.9547	2.9368		3.9042	1.0895	3.0979	3.0979	1.0893	1.0893
H4	2.4973	1.0895	3.9042		4.7861	1.7764	1.7764	4.1064	4.1064
H5	2.4973	3.9042	1.0895	4.7861		4.1064	4.1064	1.7764	1.7764
H6	2.5496	1.0893	3.0979	1.7764	4.1064		1.7896	3.3770	2.8638
H7	2.5496	1.0893	3.0979	1.7764	4.1064	1.7896		2.8638	3.3770
H8	2.5496	3.0979	1.0893	4.1064	1.7764	3.3770	2.8638		1.7896
H9	2.5496	3.0979	1.0893	4.1064	1.7764	2.8638	3.3770	1.7896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.766	Se1	C2	H6	110.524
Se1	C2	H7	110.524	Se1	C3	H5	106.766
Se1	C3	H8	110.524	Se1	C3	H9	110.524
C2	Se1	C3	97.390	H4	C2	H6	109.238
H4	C2	H7	109.238	H5	C3	H8	109.238
H5	C3	H9	109.238	H6	C2	H7	110.463
H8	C3	H9	110.463

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B3PW91/TZVP

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	-0.042
2	C	-0.400
3	C	-0.400
4	H	0.142
5	H	0.142
6	H	0.139
7	H	0.139
8	H	0.139
9	H	0.139

<r²>	92.697
(<r²>)^1/2	9.628

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B3PW91/TZVP

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)