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	hartrees
Energy at 0K	-2481.340641
Energy at 298.15K	-2481.344707
HF Energy	-2481.340641
Nuclear repulsion energy	185.839572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3156	3039	12.67
2	A₁	3054	2940	27.58
3	A₁	1494	1438	0.84
4	A₁	1339	1289	2.51
5	A₁	988	952	25.04
6	A₁	593	571	0.28
7	A₁	210	202	0.03
8	A₂	3153	3035	0.00
9	A₂	1475	1420	0.00
10	A₂	904	870	0.00
11	A₂	160	154	0.00
12	B₁	3147	3030	23.93
13	B₁	1485	1429	19.13
14	B₁	934	899	17.04
15	B₁	152	146	0.49
16	B₂	3157	3039	3.72
17	B₂	3057	2943	28.08
18	B₂	1486	1431	19.87
19	B₂	1317	1267	5.38
20	B₂	868	835	0.53
21	B₂	608	586	0.95

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.474
C2	0.000	1.465	-0.820
C3	0.000	-1.465	-0.820
H4	0.000	2.394	-0.250
H5	0.000	-2.394	-0.250
H6	0.895	1.428	-1.442
H7	-0.895	1.428	-1.442
H8	-0.895	-1.428	-1.442
H9	0.895	-1.428	-1.442

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9549	1.9549	2.5010	2.5010	2.5516	2.5516	2.5516	2.5516
C2	1.9549		2.9300	1.0905	3.9011	1.0903	1.0903	3.0912	3.0912
C3	1.9549	2.9300		3.9011	1.0905	3.0912	3.0912	1.0903	1.0903
H4	2.5010	1.0905	3.9011		4.7881	1.7768	1.7768	4.1024	4.1024
H5	2.5010	3.9011	1.0905	4.7881		4.1024	4.1024	1.7768	1.7768
H6	2.5516	1.0903	3.0912	1.7768	4.1024		1.7899	3.3701	2.8555
H7	2.5516	1.0903	3.0912	1.7768	4.1024	1.7899		2.8555	3.3701
H8	2.5516	3.0912	1.0903	4.1024	1.7768	3.3701	2.8555		1.7899
H9	2.5516	3.0912	1.0903	4.1024	1.7768	2.8555	3.3701	1.7899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.968	Se1	C2	H6	110.606
Se1	C2	H7	110.606	Se1	C3	H5	106.968
Se1	C3	H8	110.606	Se1	C3	H9	110.606
C2	Se1	C3	97.078	H4	C2	H6	109.124
H4	C2	H7	109.124	H5	C3	H8	109.124
H5	C3	H9	109.124	H6	C2	H7	110.330
H8	C3	H9	110.330

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B3PW91/6-311G*

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	0.071
2	C	-0.778
3	C	-0.778
4	H	0.251
5	H	0.251
6	H	0.246
7	H	0.246
8	H	0.246
9	H	0.246

<r²>	92.700
(<r²>)^1/2	9.628

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)