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	hartrees
Energy at 0K	-2478.969253
Energy at 298.15K	-2478.973256
HF Energy	-2478.969253
Nuclear repulsion energy	182.764478

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3191	3070	11.10
2	A₁	3080	2963	23.57
3	A₁	1524	1467	1.25
4	A₁	1371	1319	2.40
5	A₁	1011	973	27.77
6	A₁	549	528	0.66
7	A₁	220	212	0.02
8	A₂	3195	3073	0.00
9	A₂	1510	1453	0.00
10	A₂	894	860	0.00
11	A₂	145	139	0.00
12	B₁	3191	3070	28.38
13	B₁	1522	1464	23.10
14	B₁	930	895	18.60
15	B₁	148	142	0.25
16	B₂	3192	3070	3.98
17	B₂	3083	2966	24.93
18	B₂	1515	1457	21.40
19	B₂	1342	1291	5.54
20	B₂	889	856	0.59
21	B₂	563	541	0.04

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.487
C2	0.000	1.487	-0.848
C3	0.000	-1.487	-0.848
H4	0.000	2.420	-0.281
H5	0.000	-2.420	-0.281
H6	0.900	1.427	-1.460
H7	-0.900	1.427	-1.460
H8	-0.900	-1.427	-1.460
H9	0.900	-1.427	-1.460

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9987	1.9987	2.5393	2.5393	2.5769	2.5769	2.5769	2.5769
C2	1.9987		2.9749	1.0912	3.9484	1.0904	1.0904	3.1116	3.1116
C3	1.9987	2.9749		3.9484	1.0912	3.1116	3.1116	1.0904	1.0904
H4	2.5393	1.0912	3.9484		4.8403	1.7847	1.7847	4.1236	4.1236
H5	2.5393	3.9484	1.0912	4.8403		4.1236	4.1236	1.7847	1.7847
H6	2.5769	1.0904	3.1116	1.7847	4.1236		1.8006	3.3754	2.8550
H7	2.5769	1.0904	3.1116	1.7847	4.1236	1.8006		2.8550	3.3754
H8	2.5769	3.1116	1.0904	4.1236	1.7847	3.3754	2.8550		1.8006
H9	2.5769	3.1116	1.0904	4.1236	1.7847	2.8550	3.3754	1.8006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.825	Se1	C2	H6	109.520
Se1	C2	H7	109.520	Se1	C3	H5	106.825
Se1	C3	H8	109.520	Se1	C3	H9	109.520
C2	Se1	C3	96.184	H4	C2	H6	109.782
H4	C2	H7	109.782	H5	C3	H8	109.782
H5	C3	H9	109.782	H6	C2	H7	111.306
H8	C3	H9	111.306

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B3LYP/6-31G

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	0.243
2	C	-0.661
3	C	-0.661
4	H	0.181
5	H	0.181
6	H	0.179
7	H	0.179
8	H	0.179
9	H	0.179

<r²>	95.062
(<r²>)^1/2	9.750

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)