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	hartrees
Energy at 0K	-2467.481139
Energy at 298.15K	-2467.485433
HF Energy	-2467.481139
Nuclear repulsion energy	185.959237

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3297	2976	10.94
2	A₁	3213	2900	22.92
3	A₁	1656	1494	1.14
4	A₁	1507	1360	1.96
5	A₁	1097	990	28.08
6	A₁	643	580	0.61
7	A₁	234	211	0.03
8	A₂	3302	2980	0.00
9	A₂	1639	1479	0.00
10	A₂	996	899	0.00
11	A₂	166	150	0.00
12	B₁	3299	2978	22.15
13	B₁	1648	1488	17.87
14	B₁	1028	928	15.16
15	B₁	164	148	0.43
16	B₂	3297	2976	4.10
17	B₂	3215	2902	30.42
18	B₂	1647	1487	16.93
19	B₂	1485	1340	6.59
20	B₂	964	870	0.88
21	B₂	666	601	0.33

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.475
C2	0.000	1.466	-0.823
C3	0.000	-1.466	-0.823
H4	0.000	2.393	-0.265
H5	0.000	-2.393	-0.265
H6	0.887	1.417	-1.438
H7	-0.887	1.417	-1.438
H8	-0.887	-1.417	-1.438
H9	0.887	-1.417	-1.438

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9578	1.9578	2.5047	2.5047	2.5409	2.5409	2.5409	2.5409
C2	1.9578		2.9313	1.0817	3.8984	1.0807	1.0807	3.0784	3.0784
C3	1.9578	2.9313		3.8984	1.0817	3.0784	3.0784	1.0807	1.0807
H4	2.5047	1.0817	3.8984		4.7853	1.7646	1.7646	4.0838	4.0838
H5	2.5047	3.8984	1.0817	4.7853		4.0838	4.0838	1.7646	1.7646
H6	2.5409	1.0807	3.0784	1.7646	4.0838		1.7742	3.3440	2.8344
H7	2.5409	1.0807	3.0784	1.7646	4.0838	1.7742		2.8344	3.3440
H8	2.5409	3.0784	1.0807	4.0838	1.7646	3.3440	2.8344		1.7742
H9	2.5409	3.0784	1.0807	4.0838	1.7646	2.8344	3.3440	1.7742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.449	Se1	C2	H6	110.117
Se1	C2	H7	110.117	Se1	C3	H5	107.449
Se1	C3	H8	110.117	Se1	C3	H9	110.117
C2	Se1	C3	96.939	H4	C2	H6	109.377
H4	C2	H7	109.377	H5	C3	H8	109.377
H5	C3	H9	109.377	H6	C2	H7	110.348
H8	C3	H9	110.348

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: HF/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	0.094
2	C	-0.716
3	C	-0.716
4	H	0.226
5	H	0.226
6	H	0.222
7	H	0.222
8	H	0.222
9	H	0.222

<r²>	92.658
(<r²>)^1/2	9.626

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)