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	hartrees
Energy at 0K	-2478.631334
Energy at 298.15K	-2478.635432
HF Energy	-2478.481054
Nuclear repulsion energy	186.000138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3210	3210	10.26
2	A₁	3101	3101	21.48
3	A₁	1523	1523	0.02
4	A₁	1366	1366	5.17
5	A₁	1006	1006	20.36
6	A₁	587	587	0.47
7	A₁	218	218	0.05
8	A₂	3210	3210	0.00
9	A₂	1503	1503	0.00
10	A₂	911	911	0.00
11	A₂	160	160	0.00
12	B₁	3205	3205	19.24
13	B₁	1515	1515	10.35
14	B₁	947	947	11.33
15	B₁	161	161	0.34
16	B₂	3210	3210	2.71
17	B₂	3104	3104	22.02
18	B₂	1516	1516	14.52
19	B₂	1340	1340	14.47
20	B₂	882	882	0.52
21	B₂	604	604	0.39

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.474
C2	0.000	1.465	-0.821
C3	0.000	-1.465	-0.821
H4	0.000	2.391	-0.250
H5	0.000	-2.391	-0.250
H6	0.895	1.420	-1.438
H7	-0.895	1.420	-1.438
H8	-0.895	-1.420	-1.438
H9	0.895	-1.420	-1.438

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9548	1.9548	2.4984	2.4984	2.5439	2.5439	2.5439	2.5439
C2	1.9548		2.9293	1.0881	3.8978	1.0879	1.0879	3.0828	3.0828
C3	1.9548	2.9293		3.8978	1.0881	3.0828	3.0828	1.0879	1.0879
H4	2.4984	1.0881	3.8978		4.7824	1.7759	1.7759	4.0911	4.0911
H5	2.4984	3.8978	1.0881	4.7824		4.0911	4.0911	1.7759	1.7759
H6	2.5439	1.0879	3.0828	1.7759	4.0911		1.7903	3.3574	2.8403
H7	2.5439	1.0879	3.0828	1.7759	4.0911	1.7903		2.8403	3.3574
H8	2.5439	3.0828	1.0879	4.0911	1.7759	3.3574	2.8403		1.7903
H9	2.5439	3.0828	1.0879	4.0911	1.7759	2.8403	3.3574	1.7903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.900	Se1	C2	H6	110.169
Se1	C2	H7	110.169	Se1	C3	H5	106.900
Se1	C3	H8	110.169	Se1	C3	H9	110.169
C2	Se1	C3	97.048	H4	C2	H6	109.392
H4	C2	H7	109.392	H5	C3	H8	109.392
H5	C3	H9	109.392	H6	C2	H7	110.735
H8	C3	H9	110.735

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B2PLYP=FULL/6-31G**

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)