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	hartrees
Energy at 0K	-2469.617632
Energy at 298.15K	-2469.621762
HF Energy	-2469.617632
Nuclear repulsion energy	184.298159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3183	3051	4.10
2	A₁	3094	2966	16.04
3	A₁	1549	1485	2.12
4	A₁	1401	1344	1.11
5	A₁	1024	982	30.25
6	A₁	580	556	0.77
7	A₁	200	191	0.00
8	A₂	3193	3061	0.00
9	A₂	1529	1466	0.00
10	A₂	943	904	0.00
11	A₂	175	168	0.00
12	B₁	3189	3057	13.04
13	B₁	1537	1474	29.98
14	B₁	969	929	17.92
15	B₁	165	158	0.51
16	B₂	3184	3052	0.11
17	B₂	3097	2969	15.27
18	B₂	1540	1476	26.42
19	B₂	1378	1321	1.84
20	B₂	907	869	1.02
21	B₂	595	571	0.02

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.485
C2	0.000	1.466	-0.840
C3	0.000	-1.466	-0.840
H4	0.000	2.405	-0.285
H5	0.000	-2.405	-0.285
H6	0.895	1.414	-1.462
H7	-0.895	1.414	-1.462
H8	-0.895	-1.414	-1.462
H9	0.895	-1.414	-1.462

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9769	1.9769	2.5255	2.5255	2.5675	2.5675	2.5675	2.5675
C2	1.9769		2.9327	1.0909	3.9112	1.0909	1.0909	3.0795	3.0795
C3	1.9769	2.9327		3.9112	1.0909	3.0795	3.0795	1.0909	1.0909
H4	2.5255	1.0909	3.9112		4.8104	1.7801	1.7801	4.0954	4.0954
H5	2.5255	3.9112	1.0909	4.8104		4.0954	4.0954	1.7801	1.7801
H6	2.5675	1.0909	3.0795	1.7801	4.0954		1.7900	3.3468	2.8279
H7	2.5675	1.0909	3.0795	1.7801	4.0954	1.7900		2.8279	3.3468
H8	2.5675	3.0795	1.0909	4.0954	1.7801	3.3468	2.8279		1.7900
H9	2.5675	3.0795	1.0909	4.0954	1.7801	2.8279	3.3468	1.7900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.268	Se1	C2	H6	110.270
Se1	C2	H7	110.270	Se1	C3	H5	107.268
Se1	C3	H8	110.270	Se1	C3	H9	110.270
C2	Se1	C3	95.760	H4	C2	H6	109.355
H4	C2	H7	109.355	H5	C3	H8	109.355
H5	C3	H9	109.355	H6	C2	H7	110.265
H8	C3	H9	110.265

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: M06-2X/3-21G

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	0.355
2	C	-0.874
3	C	-0.874
4	H	0.236
5	H	0.236
6	H	0.230
7	H	0.230
8	H	0.230
9	H	0.230

<r²>	93.947
(<r²>)^1/2	9.693

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: M06-2X/3-21G

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)