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	hartrees
Energy at 0K	-2478.963675
Energy at 298.15K	-2478.967731
HF Energy	-2478.963675
Nuclear repulsion energy	184.537125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3220	3220	4.37
2	A₁	3108	3108	19.66
3	A₁	1530	1530	1.70
4	A₁	1390	1390	0.66
5	A₁	1027	1027	28.90
6	A₁	589	589	1.07
7	A₁	221	221	0.01
8	A₂	3223	3223	0.00
9	A₂	1517	1517	0.00
10	A₂	911	911	0.00
11	A₂	134	134	0.00
12	B₁	3218	3218	17.35
13	B₁	1530	1530	29.34
14	B₁	948	948	17.69
15	B₁	147	147	0.32
16	B₂	3221	3221	1.09
17	B₂	3112	3112	16.30
18	B₂	1519	1519	23.55
19	B₂	1361	1361	1.56
20	B₂	905	905	0.48
21	B₂	605	605	0.06

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.485
C2	0.000	1.464	-0.842
C3	0.000	-1.464	-0.842
H4	0.000	2.402	-0.290
H5	0.000	-2.402	-0.290
H6	0.898	1.399	-1.454
H7	-0.898	1.399	-1.454
H8	-0.898	-1.399	-1.454
H9	0.898	-1.399	-1.454

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9766	1.9766	2.5244	2.5244	2.5545	2.5545	2.5545	2.5545
C2	1.9766		2.9282	1.0890	3.9058	1.0886	1.0886	3.0624	3.0624
C3	1.9766	2.9282		3.9058	1.0890	3.0624	3.0624	1.0886	1.0886
H4	2.5244	1.0890	3.9058		4.8048	1.7802	1.7802	4.0759	4.0759
H5	2.5244	3.9058	1.0890	4.8048		4.0759	4.0759	1.7802	1.7802
H6	2.5545	1.0886	3.0624	1.7802	4.0759		1.7966	3.3252	2.7981
H7	2.5545	1.0886	3.0624	1.7802	4.0759	1.7966		2.7981	3.3252
H8	2.5545	3.0624	1.0886	4.0759	1.7802	3.3252	2.7981		1.7966
H9	2.5545	3.0624	1.0886	4.0759	1.7802	2.7981	3.3252	1.7966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.292	Se1	C2	H6	109.457
Se1	C2	H7	109.457	Se1	C3	H5	107.292
Se1	C3	H8	109.457	Se1	C3	H9	109.457
C2	Se1	C3	95.583	H4	C2	H6	109.669
H4	C2	H7	109.669	H5	C3	H8	109.669
H5	C3	H9	109.669	H6	C2	H7	111.211
H8	C3	H9	111.211

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: M06-2X/6-31G

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	0.251
2	C	-0.713
3	C	-0.713
4	H	0.200
5	H	0.200
6	H	0.194
7	H	0.194
8	H	0.194
9	H	0.194

<r²>	93.648
(<r²>)^1/2	9.677

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: M06-2X/6-31G

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)