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	hartrees
Energy at 0K	-2481.636195
Energy at 298.15K	-2481.640254
HF Energy	-2481.636195
Nuclear repulsion energy	186.819511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3179	3052	9.92
2	A₁	3072	2950	24.91
3	A₁	1481	1422	0.66
4	A₁	1325	1272	2.17
5	A₁	981	942	21.32
6	A₁	606	582	0.24
7	A₁	206	198	0.01
8	A₂	3174	3048	0.00
9	A₂	1461	1403	0.00
10	A₂	898	863	0.00
11	A₂	157	150	0.00
12	B₁	3168	3042	19.61
13	B₁	1469	1411	17.40
14	B₁	929	892	13.93
15	B₁	144	138	0.42
16	B₂	3179	3052	2.60
17	B₂	3076	2953	23.13
18	B₂	1474	1415	17.62
19	B₂	1303	1251	6.16
20	B₂	860	826	0.47
21	B₂	621	596	1.15

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.473
C2	0.000	1.453	-0.819
C3	0.000	-1.453	-0.819
H4	0.000	2.382	-0.252
H5	0.000	-2.382	-0.252
H6	0.893	1.410	-1.437
H7	-0.893	1.410	-1.437
H8	-0.893	-1.410	-1.437
H9	0.893	-1.410	-1.437

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9445	1.9445	2.4897	2.4897	2.5370	2.5370	2.5370	2.5370
C2	1.9445		2.9070	1.0875	3.8769	1.0875	1.0875	3.0632	3.0632
C3	1.9445	2.9070		3.8769	1.0875	3.0632	3.0632	1.0875	1.0875
H4	2.4897	1.0875	3.8769		4.7636	1.7737	1.7737	4.0723	4.0723
H5	2.4897	3.8769	1.0875	4.7636		4.0723	4.0723	1.7737	1.7737
H6	2.5370	1.0875	3.0632	1.7737	4.0723		1.7867	3.3392	2.8209
H7	2.5370	1.0875	3.0632	1.7737	4.0723	1.7867		2.8209	3.3392
H8	2.5370	3.0632	1.0875	4.0723	1.7737	3.3392	2.8209		1.7867
H9	2.5370	3.0632	1.0875	4.0723	1.7737	2.8209	3.3392	1.7867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.980	Se1	C2	H6	110.384
Se1	C2	H7	110.384	Se1	C3	H5	106.980
Se1	C3	H8	110.384	Se1	C3	H9	110.384
C2	Se1	C3	96.748	H4	C2	H6	109.274
H4	C2	H7	109.274	H5	C3	H8	109.274
H5	C3	H9	109.274	H6	C2	H7	110.468
H8	C3	H9	110.468

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B1B95/6-311G**

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	-0.017
2	C	-0.444
3	C	-0.444
4	H	0.153
5	H	0.153
6	H	0.150
7	H	0.150
8	H	0.150
9	H	0.150

<r²>	91.840
(<r²>)^1/2	9.583

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)