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	hartrees
Energy at 0K	-2481.381768
Energy at 298.15K	-2481.385680
HF Energy	-2481.381768
Nuclear repulsion energy	182.651641

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3072	3064	12.96
2	A₁	2980	2972	25.63
3	A₁	1448	1444	0.64
4	A₁	1287	1284	5.27
5	A₁	950	948	18.35
6	A₁	536	535	0.31
7	A₁	200	200	0.03
8	A₂	3069	3062	0.00
9	A₂	1429	1426	0.00
10	A₂	869	866	0.00
11	A₂	150	150	0.00
12	B₁	3063	3056	23.51
13	B₁	1437	1433	11.99
14	B₁	898	896	13.59
15	B₁	142	142	0.44
16	B₂	3072	3065	3.49
17	B₂	2983	2976	25.55
18	B₂	1442	1439	16.12
19	B₂	1265	1262	10.64
20	B₂	836	834	0.11
21	B₂	550	548	0.67

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.482
C2	0.000	1.498	-0.838
C3	0.000	-1.498	-0.838
H4	0.000	2.424	-0.254
H5	0.000	-2.424	-0.254
H6	0.900	1.455	-1.458
H7	-0.900	1.455	-1.458
H8	-0.900	-1.455	-1.458
H9	0.900	-1.455	-1.458

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9960	1.9960	2.5334	2.5334	2.5871	2.5871	2.5871	2.5871
C2	1.9960		2.9951	1.0947	3.9647	1.0944	1.0944	3.1487	3.1487
C3	1.9960	2.9951		3.9647	1.0947	3.1487	3.1487	1.0944	1.0944
H4	2.5334	1.0947	3.9647		4.8480	1.7886	1.7886	4.1603	4.1603
H5	2.5334	3.9647	1.0947	4.8480		4.1603	4.1603	1.7886	1.7886
H6	2.5871	1.0944	3.1487	1.7886	4.1603		1.8008	3.4224	2.9103
H7	2.5871	1.0944	3.1487	1.7886	4.1603	1.8008		2.9103	3.4224
H8	2.5871	3.1487	1.0944	4.1603	1.7886	3.4224	2.9103		1.8008
H9	2.5871	3.1487	1.0944	4.1603	1.7886	2.9103	3.4224	1.8008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.420	Se1	C2	H6	110.234
Se1	C2	H7	110.234	Se1	C3	H5	106.420
Se1	C3	H8	110.234	Se1	C3	H9	110.234
C2	Se1	C3	97.228	H4	C2	H6	109.572
H4	C2	H7	109.572	H5	C3	H8	109.572
H5	C3	H9	109.572	H6	C2	H7	110.713
H8	C3	H9	110.713

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: BLYP/TZVP

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	-0.018
2	C	-0.393
3	C	-0.393
4	H	0.134
5	H	0.134
6	H	0.134
7	H	0.134
8	H	0.134
9	H	0.134

<r²>	95.680
(<r²>)^1/2	9.782

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: BLYP/TZVP

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)