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	hartrees
Energy at 0K	-2479.142334
Energy at 298.15K	-2479.146602
HF Energy	-2479.142334
Nuclear repulsion energy	186.880451

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3273	2980	14.29
2	A₁	3182	2897	31.04
3	A₁	1600	1457	1.09
4	A₁	1451	1321	3.58
5	A₁	1068	973	17.97
6	A₁	635	578	0.53
7	A₁	227	206	0.00
8	A₂	3271	2978	0.00
9	A₂	1580	1439	0.00
10	A₂	979	892	0.00
11	A₂	164	149	0.00
12	B₁	3267	2974	22.39
13	B₁	1589	1447	11.67
14	B₁	1007	917	6.67
15	B₁	164	150	0.25
16	B₂	3274	2980	5.31
17	B₂	3185	2899	35.89
18	B₂	1594	1451	12.39
19	B₂	1428	1301	14.41
20	B₂	936	852	0.10
21	B₂	657	598	0.15

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.466
C2	0.000	1.470	-0.807
C3	0.000	-1.470	-0.807
H4	0.000	2.386	-0.236
H5	0.000	-2.386	-0.236
H6	0.886	1.432	-1.423
H7	-0.886	1.432	-1.423
H8	-0.886	-1.432	-1.423
H9	0.886	-1.432	-1.423

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9448	1.9448	2.4874	2.4874	2.5312	2.5312	2.5312	2.5312
C2	1.9448		2.9396	1.0798	3.8980	1.0795	1.0795	3.0963	3.0963
C3	1.9448	2.9396		3.8980	1.0798	3.0963	3.0963	1.0795	1.0795
H4	2.4874	1.0798	3.8980		4.7723	1.7616	1.7616	4.0958	4.0958
H5	2.4874	3.8980	1.0798	4.7723		4.0958	4.0958	1.7616	1.7616
H6	2.5312	1.0795	3.0963	1.7616	4.0958		1.7718	3.3685	2.8650
H7	2.5312	1.0795	3.0963	1.7616	4.0958	1.7718		2.8650	3.3685
H8	2.5312	3.0963	1.0795	4.0958	1.7616	3.3685	2.8650		1.7718
H9	2.5312	3.0963	1.0795	4.0958	1.7616	2.8650	3.3685	1.7718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.151	Se1	C2	H6	110.331
Se1	C2	H7	110.331	Se1	C3	H5	107.151
Se1	C3	H8	110.331	Se1	C3	H9	110.331
C2	Se1	C3	98.180	H4	C2	H6	109.335
H4	C2	H7	109.335	H5	C3	H8	109.335
H5	C3	H9	109.335	H6	C2	H7	110.293
H8	C3	H9	110.293

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: HF/aug-cc-pVTZ

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	0.033
2	C	-0.827
3	C	-0.827
4	H	0.275
5	H	0.275
6	H	0.268
7	H	0.268
8	H	0.268
9	H	0.268

<r²>	92.311
(<r²>)^1/2	9.608

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: HF/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)