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	hartrees
Energy at 0K	-2480.925495
Energy at 298.15K	-2480.929449
HF Energy	-2480.925495
Nuclear repulsion energy	185.216150

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3086	3049	8.97
2	A₁	2983	2947	22.42
3	A₁	1427	1410	0.44
4	A₁	1265	1249	1.38
5	A₁	942	931	15.28
6	A₁	576	569	0.13
7	A₁	201	198	0.04
8	A₂	3080	3042	0.00
9	A₂	1407	1390	0.00
10	A₂	863	852	0.00
11	A₂	156	155	0.00
12	B₁	3072	3035	15.27
13	B₁	1415	1398	12.29
14	B₁	891	881	10.41
15	B₁	143	141	0.40
16	B₂	3087	3050	1.35
17	B₂	2987	2951	20.39
18	B₂	1421	1403	15.50
19	B₂	1244	1229	6.00
20	B₂	826	816	0.38
21	B₂	589	581	1.43

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.475
C2	0.000	1.472	-0.824
C3	0.000	-1.472	-0.824
H4	0.000	2.401	-0.245
H5	0.000	-2.401	-0.245
H6	0.900	1.433	-1.447
H7	-0.900	1.433	-1.447
H8	-0.900	-1.433	-1.447
H9	0.900	-1.433	-1.447

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9627	1.9627	2.5070	2.5070	2.5608	2.5608	2.5608	2.5608
C2	1.9627		2.9431	1.0953	3.9160	1.0956	1.0956	3.1039	3.1039
C3	1.9627	2.9431		3.9160	1.0953	3.1039	3.1039	1.0956	1.0956
H4	2.5070	1.0953	3.9160		4.8029	1.7870	1.7870	4.1178	4.1178
H5	2.5070	3.9160	1.0953	4.8029		4.1178	4.1178	1.7870	1.7870
H6	2.5608	1.0956	3.1039	1.7870	4.1178		1.8004	3.3843	2.8656
H7	2.5608	1.0956	3.1039	1.7870	4.1178	1.8004		2.8656	3.3843
H8	2.5608	3.1039	1.0956	4.1178	1.7870	3.3843	2.8656		1.8004
H9	2.5608	3.1039	1.0956	4.1178	1.7870	2.8656	3.3843	1.8004

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.669	Se1	C2	H6	110.483
Se1	C2	H7	110.483	Se1	C3	H5	106.669
Se1	C3	H8	110.483	Se1	C3	H9	110.483
C2	Se1	C3	97.137	H4	C2	H6	109.308
H4	C2	H7	109.308	H5	C3	H8	109.308
H5	C3	H9	109.308	H6	C2	H7	110.502
H8	C3	H9	110.502

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: PBEPBE/Def2TZVPP

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	-0.008
2	C	-0.368
3	C	-0.368
4	H	0.127
5	H	0.127
6	H	0.122
7	H	0.122
8	H	0.122
9	H	0.122

<r²>	93.284
(<r²>)^1/2	9.658

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)