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	hartrees
Energy at 0K	-2451.864023
Energy at 298.15K	-2451.868274
HF Energy	-2451.864023
Nuclear repulsion energy	187.926458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3762	3072	0.01
2	A₁	3563	2909	0.53
3	A₁	1831	1495	0.16
4	A₁	1680	1372	4.39
5	A₁	1182	965	18.62
6	A₁	763	623	2.05
7	A₁	269	220	0.20
8	A₂	3749	3061	0.00
9	A₂	1819	1485	0.00
10	A₂	1114	909	0.00
11	A₂	149	122	0.00
12	B₁	3748	3060	3.07
13	B₁	1821	1487	7.80
14	B₁	1138	929	0.66
15	B₁	147	120	0.47
16	B₂	3761	3071	0.42
17	B₂	3564	2910	0.03
18	B₂	1828	1493	8.08
19	B₂	1656	1352	25.48
20	B₂	1076	878	0.04
21	B₂	778	635	0.81

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.471
C2	0.000	1.442	-0.809
C3	0.000	-1.442	-0.809
H4	0.000	2.383	-0.271
H5	0.000	-2.383	-0.271
H6	0.881	1.409	-1.441
H7	-0.881	1.409	-1.441
H8	-0.881	-1.409	-1.441
H9	0.881	-1.409	-1.441

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9277	1.9277	2.4955	2.4955	2.5338	2.5338	2.5338	2.5338
C2	1.9277		2.8831	1.0840	3.8618	1.0854	1.0854	3.0504	3.0504
C3	1.9277	2.8831		3.8618	1.0840	3.0504	3.0504	1.0854	1.0854
H4	2.4955	1.0840	3.8618		4.7653	1.7590	1.7590	4.0652	4.0652
H5	2.4955	3.8618	1.0840	4.7653		4.0652	4.0652	1.7590	1.7590
H6	2.5338	1.0854	3.0504	1.7590	4.0652		1.7630	3.3247	2.8187
H7	2.5338	1.0854	3.0504	1.7590	4.0652	1.7630		2.8187	3.3247
H8	2.5338	3.0504	1.0854	4.0652	1.7590	3.3247	2.8187		1.7630
H9	2.5338	3.0504	1.0854	4.0652	1.7590	2.8187	3.3247	1.7630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	108.648	Se1	C2	H6	111.389
Se1	C2	H7	111.389	Se1	C3	H5	108.648
Se1	C3	H8	111.389	Se1	C3	H9	111.389
C2	Se1	C3	96.802	H4	C2	H6	108.357
H4	C2	H7	108.357	H5	C3	H8	108.357
H5	C3	H9	108.357	H6	C2	H7	108.609
H8	C3	H9	108.609

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: HF/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	0.101
2	C	-0.269
3	C	-0.269
4	H	0.077
5	H	0.077
6	H	0.070
7	H	0.070
8	H	0.070
9	H	0.070

<r²>	90.048
(<r²>)^1/2	9.489

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)