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	hartrees
Energy at 0K	-2479.184739
Energy at 298.15K	-2479.188808
HF Energy	-2479.184739
Nuclear repulsion energy	186.485795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3172	3046	8.92
2	A₁	3062	2940	27.21
3	A₁	1484	1425	0.87
4	A₁	1342	1288	2.90
5	A₁	1001	961	22.08
6	A₁	597	573	0.26
7	A₁	209	201	0.02
8	A₂	3165	3039	0.00
9	A₂	1465	1407	0.00
10	A₂	921	884	0.00
11	A₂	151	145	0.00
12	B₁	3159	3033	13.54
13	B₁	1477	1418	16.31
14	B₁	953	915	12.38
15	B₁	155	149	0.45
16	B₂	3173	3046	2.38
17	B₂	3065	2943	25.62
18	B₂	1476	1417	18.94
19	B₂	1317	1265	5.81
20	B₂	881	845	0.24
21	B₂	605	581	1.14

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.471
C2	0.000	1.460	-0.815
C3	0.000	-1.460	-0.815
H4	0.000	2.390	-0.244
H5	0.000	-2.390	-0.244
H6	0.895	1.422	-1.440
H7	-0.895	1.422	-1.440
H8	-0.895	-1.422	-1.440
H9	0.895	-1.422	-1.440

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9455	1.9455	2.4951	2.4951	2.5452	2.5452	2.5452	2.5452
C2	1.9455		2.9191	1.0922	3.8922	1.0923	1.0923	3.0819	3.0819
C3	1.9455	2.9191		3.8922	1.0922	3.0819	3.0819	1.0923	1.0923
H4	2.4951	1.0922	3.8922		4.7809	1.7803	1.7803	4.0952	4.0952
H5	2.4951	3.8922	1.0922	4.7809		4.0952	4.0952	1.7803	1.7803
H6	2.5452	1.0923	3.0819	1.7803	4.0952		1.7901	3.3613	2.8449
H7	2.5452	1.0923	3.0819	1.7803	4.0952	1.7901		2.8449	3.3613
H8	2.5452	3.0819	1.0923	4.0952	1.7803	3.3613	2.8449		1.7901
H9	2.5452	3.0819	1.0923	4.0952	1.7803	2.8449	3.3613	1.7901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.070	Se1	C2	H6	110.662
Se1	C2	H7	110.662	Se1	C3	H5	107.070
Se1	C3	H8	110.662	Se1	C3	H9	110.662
C2	Se1	C3	97.217	H4	C2	H6	109.162
H4	C2	H7	109.162	H5	C3	H8	109.162
H5	C3	H9	109.162	H6	C2	H7	110.052
H8	C3	H9	110.052

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B3PW91/6-31+G**

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	-0.044
2	C	-0.530
3	C	-0.530
4	H	0.184
5	H	0.184
6	H	0.184
7	H	0.184
8	H	0.184
9	H	0.184

<r²>	92.260
(<r²>)^1/2	9.605

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)