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	hartrees
Energy at 0K	-2478.595797
Energy at 298.15K	-2478.599883
HF Energy	-2478.470920
Nuclear repulsion energy	185.663517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3205	3042	10.29
2	A₁	3102	2944	21.54
3	A₁	1537	1459	0.06
4	A₁	1376	1306	4.76
5	A₁	1012	960	21.77
6	A₁	583	554	0.52
7	A₁	218	206	0.06
8	A₂	3205	3042	0.00
9	A₂	1518	1440	0.00
10	A₂	911	864	0.00
11	A₂	161	153	0.00
12	B₁	3200	3037	19.55
13	B₁	1529	1451	11.68
14	B₁	947	899	12.13
15	B₁	159	151	0.34
16	B₂	3206	3043	2.97
17	B₂	3105	2947	22.03
18	B₂	1530	1452	15.35
19	B₂	1350	1282	13.74
20	B₂	888	843	0.51
21	B₂	600	570	0.29

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.475
C2	0.000	1.466	-0.823
C3	0.000	-1.466	-0.823
H4	0.000	2.396	-0.253
H5	0.000	-2.396	-0.253
H6	0.897	1.420	-1.441
H7	-0.897	1.420	-1.441
H8	-0.897	-1.420	-1.441
H9	0.897	-1.420	-1.441

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9585	1.9585	2.5039	2.5039	2.5482	2.5482	2.5482	2.5482
C2	1.9585		2.9327	1.0902	3.9038	1.0899	1.0899	3.0851	3.0851
C3	1.9585	2.9327		3.9038	1.0902	3.0851	3.0851	1.0899	1.0899
H4	2.5039	1.0902	3.9038		4.7913	1.7795	1.7795	4.0959	4.0959
H5	2.5039	3.9038	1.0902	4.7913		4.0959	4.0959	1.7795	1.7795
H6	2.5482	1.0899	3.0851	1.7795	4.0959		1.7931	3.3591	2.8405
H7	2.5482	1.0899	3.0851	1.7795	4.0959	1.7931		2.8405	3.3591
H8	2.5482	3.0851	1.0899	4.0959	1.7795	3.3591	2.8405		1.7931
H9	2.5482	3.0851	1.0899	4.0959	1.7795	2.8405	3.3591	1.7931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.953	Se1	C2	H6	110.134
Se1	C2	H7	110.134	Se1	C3	H5	106.953
Se1	C3	H8	110.134	Se1	C3	H9	110.134
C2	Se1	C3	96.956	H4	C2	H6	109.425
H4	C2	H7	109.425	H5	C3	H8	109.425
H5	C3	H9	109.425	H6	C2	H7	110.690
H8	C3	H9	110.690

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B2PLYP/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	-0.012
2	C	-0.538
3	C	-0.538
4	H	0.184
5	H	0.184
6	H	0.180
7	H	0.180
8	H	0.180
9	H	0.180

<r²>	92.696
(<r²>)^1/2	9.628

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)