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	hartrees
Energy at 0K	-2481.342991
Energy at 298.15K	-2481.347022
HF Energy	-2481.342991
Nuclear repulsion energy	185.673859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3165	3053	9.39
2	A₁	3051	2943	24.20
3	A₁	1440	1389	0.85
4	A₁	1291	1245	1.59
5	A₁	966	931	15.11
6	A₁	596	575	0.27
7	A₁	207	200	0.03
8	A₂	3158	3047	0.00
9	A₂	1422	1371	0.00
10	A₂	881	850	0.00
11	A₂	151	145	0.00
12	B₁	3153	3041	13.76
13	B₁	1431	1380	12.04
14	B₁	910	878	9.13
15	B₁	150	145	0.33
16	B₂	3165	3053	2.04
17	B₂	3054	2945	23.36
18	B₂	1433	1382	14.34
19	B₂	1268	1223	7.35
20	B₂	846	816	0.42
21	B₂	612	590	0.73

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.473
C2	0.000	1.467	-0.819
C3	0.000	-1.467	-0.819
H4	0.000	2.400	-0.243
H5	0.000	-2.400	-0.243
H6	0.901	1.428	-1.443
H7	-0.901	1.428	-1.443
H8	-0.901	-1.428	-1.443
H9	0.901	-1.428	-1.443

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9548	1.9548	2.5043	2.5043	2.5540	2.5540	2.5540	2.5540
C2	1.9548		2.9334	1.0965	3.9090	1.0965	1.0965	3.0950	3.0950
C3	1.9548	2.9334		3.9090	1.0965	3.0950	3.0950	1.0965	1.0965
H4	2.5043	1.0965	3.9090		4.7993	1.7878	1.7878	4.1111	4.1111
H5	2.5043	3.9090	1.0965	4.7993		4.1111	4.1111	1.7878	1.7878
H6	2.5540	1.0965	3.0950	1.7878	4.1111		1.8013	3.3763	2.8556
H7	2.5540	1.0965	3.0950	1.7878	4.1111	1.8013		2.8556	3.3763
H8	2.5540	3.0950	1.0965	4.1111	1.7878	3.3763	2.8556		1.8013
H9	2.5540	3.0950	1.0965	4.1111	1.7878	2.8556	3.3763	1.8013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.924	Se1	C2	H6	110.473
Se1	C2	H7	110.473	Se1	C3	H5	106.924
Se1	C3	H8	110.473	Se1	C3	H9	110.473
C2	Se1	C3	97.233	H4	C2	H6	109.222
H4	C2	H7	109.222	H5	C3	H8	109.222
H5	C3	H9	109.222	H6	C2	H7	110.446
H8	C3	H9	110.446

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: B3PW91/aug-cc-pVDZ

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	0.564
2	C	0.258
3	C	0.258
4	H	-0.235
5	H	-0.235
6	H	-0.152
7	H	-0.152
8	H	-0.152
9	H	-0.152

<r²>	92.882
(<r²>)^1/2	9.638

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)