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	hartrees
Energy at 0K	-2480.839161
Energy at 298.15K
HF Energy	-2480.681835
Nuclear repulsion energy	185.282719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3174	3054	9.54
2	A₁	3063	2947	25.74
3	A₁	1458	1403	0.55
4	A₁	1310	1261	2.40
5	A₁	974	937	13.68
6	A₁	593	571	0.27
7	A₁	208	200	0.01
8	A₂	3167	3047	0.00
9	A₂	1441	1387	0.00
10	A₂	890	857	0.00
11	A₂	146	140	0.00
12	B₁	3161	3041	14.70
13	B₁	1451	1396	10.94
14	B₁	920	885	8.17
15	B₁	150	144	0.23
16	B₂	3174	3055	3.17
17	B₂	3066	2951	23.54
18	B₂	1452	1397	12.92
19	B₂	1287	1238	10.07
20	B₂	856	824	0.26
21	B₂	610	587	0.57

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.479
C2	0.000	1.462	-0.828
C3	0.000	-1.462	-0.828
H4	0.000	2.402	-0.265
H5	0.000	-2.402	-0.265
H6	0.900	1.413	-1.452
H7	-0.900	1.413	-1.452
H8	-0.900	-1.413	-1.452
H9	0.900	-1.413	-1.452

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9614	1.9614	2.5146	2.5146	2.5562	2.5562	2.5562	2.5562
C2	1.9614		2.9245	1.0959	3.9052	1.0959	1.0959	3.0767	3.0767
C3	1.9614	2.9245		3.9052	1.0959	3.0767	3.0767	1.0959	1.0959
H4	2.5146	1.0959	3.9052		4.8043	1.7880	1.7880	4.0957	4.0957
H5	2.5146	3.9052	1.0959	4.8043		4.0957	4.0957	1.7880	1.7880
H6	2.5562	1.0959	3.0767	1.7880	4.0957		1.8001	3.3508	2.8262
H7	2.5562	1.0959	3.0767	1.7880	4.0957	1.8001		2.8262	3.3508
H8	2.5562	3.0767	1.0959	4.0957	1.7880	3.3508	2.8262		1.8001
H9	2.5562	3.0767	1.0959	4.0957	1.7880	2.8262	3.3508	1.8001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.256	Se1	C2	H6	110.223
Se1	C2	H7	110.223	Se1	C3	H5	107.256
Se1	C3	H8	110.223	Se1	C3	H9	110.223
C2	Se1	C3	96.407	H4	C2	H6	109.326
H4	C2	H7	109.326	H5	C3	H8	109.326
H5	C3	H9	109.326	H6	C2	H7	110.422
H8	C3	H9	110.422

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

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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All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)