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	hartrees
Energy at 0K	-2454.956407
Energy at 298.15K	-2454.960389
HF Energy	-2454.956407
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3418	3418	1.83
2	A₁	3222	3222	2.90
3	A₁	1649	1649	0.23
4	A₁	1487	1487	2.29
5	A₁	1056	1056	17.50
6	A₁	659	659	0.65
7	A₁	244	244	0.03
8	A₂	3395	3395	0.00
9	A₂	1636	1636	0.00
10	A₂	992	992	0.00
11	A₂	146	146	0.00
12	B₁	3393	3393	10.76
13	B₁	1638	1638	8.89
14	B₁	1018	1018	3.24
15	B₁	143	143	0.44
16	B₂	3417	3417	0.01
17	B₂	3224	3224	1.64
18	B₂	1646	1646	10.77
19	B₂	1462	1462	15.99
20	B₂	961	961	0.35
21	B₂	665	665	0.03

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.490
C2	0.000	1.445	-0.841
C3	0.000	-1.445	-0.841
H4	0.000	2.413	-0.309
H5	0.000	-2.413	-0.309
H6	0.899	1.396	-1.484
H7	-0.899	1.396	-1.484
H8	-0.899	-1.396	-1.484
H9	0.899	-1.396	-1.484

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9647	1.9647	2.5419	2.5419	2.5795	2.5795	2.5795	2.5795
C2	1.9647		2.8903	1.1046	3.8948	1.1066	1.1066	3.0487	3.0487
C3	1.9647	2.8903		3.8948	1.1046	3.0487	3.0487	1.1066	1.1066
H4	2.5419	1.1046	3.8948		4.8262	1.7955	1.7955	4.0865	4.0865
H5	2.5419	3.8948	1.1046	4.8262		4.0865	4.0865	1.7955	1.7955
H6	2.5795	1.1066	3.0487	1.7955	4.0865		1.7989	3.3215	2.7921
H7	2.5795	1.1066	3.0487	1.7955	4.0865	1.7989		2.7921	3.3215
H8	2.5795	3.0487	1.1066	4.0865	1.7955	3.3215	2.7921		1.7989
H9	2.5795	3.0487	1.1066	4.0865	1.7955	2.7921	3.3215	1.7989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	108.549	Se1	C2	H6	111.151
Se1	C2	H7	111.151	Se1	C3	H5	108.549
Se1	C3	H8	111.151	Se1	C3	H9	111.151
C2	Se1	C3	94.708	H4	C2	H6	108.586
H4	C2	H7	108.586	H5	C3	H8	108.586
H5	C3	H9	108.586	H6	C2	H7	108.749
H8	C3	H9	108.749

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B97D3/STO-3G

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	0.089
2	C	-0.289
3	C	-0.289
4	H	0.085
5	H	0.085
6	H	0.080
7	H	0.080
8	H	0.080
9	H	0.080

<r²>	92.043
(<r²>)^1/2	9.594

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B97D3/STO-3G

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)