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	hartrees
Energy at 0K	-24.233232
Energy at 298.15K	-24.237163
HF Energy	-24.233232
Nuclear repulsion energy	41.118869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3173	3073	31.26
2	A₁	3053	2956	40.08
3	A₁	1488	1441	3.67
4	A₁	1346	1303	2.57
5	A₁	997	965	35.06
6	A₁	551	533	0.42
7	A₁	198	192	0.07
8	A₂	3171	3071	0.00
9	A₂	1472	1425	0.00
10	A₂	905	877	0.00
11	A₂	138	133	0.00
12	B₁	3168	3067	70.04
13	B₁	1479	1432	30.23
14	B₁	938	908	29.19
15	B₁	136	132	0.32
16	B₂	3173	3072	14.93
17	B₂	3055	2958	49.97
18	B₂	1481	1434	20.31
19	B₂	1321	1279	2.98
20	B₂	870	843	0.39
21	B₂	571	553	0.14

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.488
C2	0.000	1.506	-0.849
C3	0.000	-1.506	-0.849
H4	0.000	2.439	-0.265
H5	0.000	-2.439	-0.265
H6	0.906	1.456	-1.471
H7	-0.906	1.456	-1.471
H8	-0.906	-1.456	-1.471
H9	0.906	-1.456	-1.471

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		2.0136	2.0136	2.5531	2.5531	2.6037	2.6037	2.6037	2.6037
C2	2.0136		3.0115	1.1007	3.9879	1.1006	1.1006	3.1588	3.1588
C3	2.0136	3.0115		3.9879	1.1007	3.1588	3.1588	1.1006	1.1006
H4	2.5531	1.1007	3.9879		4.8785	1.8008	1.8008	4.1766	4.1766
H5	2.5531	3.9879	1.1007	4.8785		4.1766	4.1766	1.8008	1.8008
H6	2.6037	1.1006	3.1588	1.8008	4.1766		1.8123	3.4291	2.9110
H7	2.6037	1.1006	3.1588	1.8008	4.1766	1.8123		2.9110	3.4291
H8	2.6037	3.1588	1.1006	4.1766	1.8008	3.4291	2.9110		1.8123
H9	2.6037	3.1588	1.1006	4.1766	1.8008	2.9110	3.4291	1.8123

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.403	Se1	C2	H6	109.965
Se1	C2	H7	109.965	Se1	C3	H5	106.403
Se1	C3	H8	109.965	Se1	C3	H9	109.965
C2	Se1	C3	96.796	H4	C2	H6	109.781
H4	C2	H7	109.781	H5	C3	H8	109.781
H5	C3	H9	109.781	H6	C2	H7	110.846
H8	C3	H9	110.846

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B3LYP/CEP-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	0.107
2	C	-0.616
3	C	-0.616
4	H	0.192
5	H	0.192
6	H	0.185
7	H	0.185
8	H	0.185
9	H	0.185

<r²>	75.413
(<r²>)^1/2	8.684

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)