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	hartrees
Energy at 0K	-2480.839162
Energy at 298.15K	-2480.843201
HF Energy	-2480.681834
Nuclear repulsion energy	185.279255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3174	3053	9.55
2	A₁	3063	2946	25.72
3	A₁	1459	1403	0.55
4	A₁	1310	1260	2.37
5	A₁	974	937	13.67
6	A₁	592	570	0.28
7	A₁	208	200	0.01
8	A₂	3167	3046	0.00
9	A₂	1441	1386	0.00
10	A₂	890	856	0.00
11	A₂	147	142	0.00
12	B₁	3161	3040	14.69
13	B₁	1451	1395	10.95
14	B₁	919	884	8.14
15	B₁	151	145	0.23
16	B₂	3175	3054	3.16
17	B₂	3067	2950	23.54
18	B₂	1452	1397	12.91
19	B₂	1287	1237	10.08
20	B₂	856	823	0.26
21	B₂	610	586	0.56

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.479
C2	0.000	1.462	-0.829
C3	0.000	-1.462	-0.829
H4	0.000	2.402	-0.266
H5	0.000	-2.402	-0.266
H6	0.900	1.412	-1.452
H7	-0.900	1.412	-1.452
H8	-0.900	-1.412	-1.452
H9	0.900	-1.412	-1.452

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9615	1.9615	2.5148	2.5148	2.5561	2.5561	2.5561	2.5561
C2	1.9615		2.9239	1.0959	3.9049	1.0959	1.0959	3.0758	3.0758
C3	1.9615	2.9239		3.9049	1.0959	3.0758	3.0758	1.0959	1.0959
H4	2.5148	1.0959	3.9049		4.8042	1.7881	1.7881	4.0949	4.0949
H5	2.5148	3.9049	1.0959	4.8042		4.0949	4.0949	1.7881	1.7881
H6	2.5561	1.0959	3.0758	1.7881	4.0949		1.8002	3.3497	2.8248
H7	2.5561	1.0959	3.0758	1.7881	4.0949	1.8002		2.8248	3.3497
H8	2.5561	3.0758	1.0959	4.0949	1.7881	3.3497	2.8248		1.8002
H9	2.5561	3.0758	1.0959	4.0949	1.7881	2.8248	3.3497	1.8002

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.266	Se1	C2	H6	110.209
Se1	C2	H7	110.209	Se1	C3	H5	107.266
Se1	C3	H8	110.209	Se1	C3	H9	110.209
C2	Se1	C3	96.376	H4	C2	H6	109.332
H4	C2	H7	109.332	H5	C3	H8	109.332
H5	C3	H9	109.332	H6	C2	H7	110.430
H8	C3	H9	110.430

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

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

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)