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	hartrees
Energy at 0K	-2479.502680
Energy at 298.15K	-2479.506873
HF Energy	-2479.502680
Nuclear repulsion energy	188.338568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3178	3034	7.45
2	A₁	3072	2933	19.24
3	A₁	1485	1418	0.35
4	A₁	1325	1265	1.42
5	A₁	982	938	19.47
6	A₁	644	615	0.15
7	A₁	219	209	0.09
8	A₂	3173	3029	0.00
9	A₂	1466	1400	0.00
10	A₂	895	855	0.00
11	A₂	177	169	0.00
12	B₁	3167	3024	13.78
13	B₁	1476	1409	11.60
14	B₁	930	888	10.23
15	B₁	177	169	0.45
16	B₂	3179	3035	0.93
17	B₂	3075	2936	20.21
18	B₂	1480	1413	15.54
19	B₂	1299	1241	6.93
20	B₂	855	817	0.48
21	B₂	658	628	1.54

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.462
C2	0.000	1.449	-0.799
C3	0.000	-1.449	-0.799
H4	0.000	2.374	-0.222
H5	0.000	-2.374	-0.222
H6	0.894	1.425	-1.423
H7	-0.894	1.425	-1.423
H8	-0.894	-1.425	-1.423
H9	0.894	-1.425	-1.423

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9212	1.9212	2.4709	2.4709	2.5271	2.5271	2.5271	2.5271
C2	1.9212		2.8983	1.0905	3.8668	1.0905	1.0905	3.0742	3.0742
C3	1.9212	2.8983		3.8668	1.0905	3.0742	3.0742	1.0905	1.0905
H4	2.4709	1.0905	3.8668		4.7486	1.7729	1.7729	4.0840	4.0840
H5	2.4709	3.8668	1.0905	4.7486		4.0840	4.0840	1.7729	1.7729
H6	2.5271	1.0905	3.0742	1.7729	4.0840		1.7873	3.3645	2.8505
H7	2.5271	1.0905	3.0742	1.7729	4.0840	1.7873		2.8505	3.3645
H8	2.5271	3.0742	1.0905	4.0840	1.7729	3.3645	2.8505		1.7873
H9	2.5271	3.0742	1.0905	4.0840	1.7729	2.8505	3.3645	1.7873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.006	Se1	C2	H6	111.067
Se1	C2	H7	111.067	Se1	C3	H5	107.006
Se1	C3	H8	111.067	Se1	C3	H9	111.067
C2	Se1	C3	97.925	H4	C2	H6	108.764
H4	C2	H7	108.764	H5	C3	H8	108.764
H5	C3	H9	108.764	H6	C2	H7	110.069
H8	C3	H9	110.069

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: mPW1PW91/6-31G(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	0.119
2	C	-0.574
3	C	-0.574
4	H	0.177
5	H	0.177
6	H	0.169
7	H	0.169
8	H	0.169
9	H	0.169

<r²>	90.506
(<r²>)^1/2	9.513

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)