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	hartrees
Energy at 0K	-2453.825964
Energy at 298.15K	-2453.829976
HF Energy	-2453.825964
Nuclear repulsion energy	186.974928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3534	3534	0.05
2	A₁	3343	3343	1.08
3	A₁	1695	1695	0.89
4	A₁	1546	1546	1.01
5	A₁	1097	1097	19.97
6	A₁	688	688	1.40
7	A₁	248	248	0.09
8	A₂	3514	3514	0.00
9	A₂	1684	1684	0.00
10	A₂	1027	1027	0.00
11	A₂	130	130	0.00
12	B₁	3512	3512	2.92
13	B₁	1686	1686	12.15
14	B₁	1051	1051	2.95
15	B₁	128	128	0.45
16	B₂	3533	3533	0.79
17	B₂	3344	3344	0.20
18	B₂	1692	1692	11.04
19	B₂	1524	1524	11.14
20	B₂	999	999	0.41
21	B₂	694	694	0.29

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.480
C2	0.000	1.433	-0.823
C3	0.000	-1.433	-0.823
H4	0.000	2.392	-0.291
H5	0.000	-2.392	-0.291
H6	0.892	1.393	-1.463
H7	-0.892	1.393	-1.463
H8	-0.892	-1.393	-1.463
H9	0.892	-1.393	-1.463

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9363	1.9363	2.5131	2.5131	2.5512	2.5512	2.5512	2.5512
C2	1.9363		2.8662	1.0967	3.8620	1.0986	1.0986	3.0319	3.0319
C3	1.9363	2.8662		3.8620	1.0967	3.0319	3.0319	1.0986	1.0986
H4	2.5131	1.0967	3.8620		4.7843	1.7798	1.7798	4.0617	4.0617
H5	2.5131	3.8620	1.0967	4.7843		4.0617	4.0617	1.7798	1.7798
H6	2.5512	1.0986	3.0319	1.7798	4.0617		1.7836	3.3081	2.7861
H7	2.5512	1.0986	3.0319	1.7798	4.0617	1.7836		2.7861	3.3081
H8	2.5512	3.0319	1.0986	4.0617	1.7798	3.3081	2.7861		1.7836
H9	2.5512	3.0319	1.0986	4.0617	1.7798	2.7861	3.3081	1.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	108.727	Se1	C2	H6	111.406
Se1	C2	H7	111.406	Se1	C3	H5	108.727
Se1	C3	H8	111.406	Se1	C3	H9	111.406
C2	Se1	C3	95.483	H4	C2	H6	108.336
H4	C2	H7	108.336	H5	C3	H8	108.336
H5	C3	H9	108.336	H6	C2	H7	108.537
H8	C3	H9	108.537

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: wB97X-D/STO-3G

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	0.109
2	C	-0.311
3	C	-0.311
4	H	0.090
5	H	0.090
6	H	0.083
7	H	0.083
8	H	0.083
9	H	0.083

<r²>	90.378
(<r²>)^1/2	9.507

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: wB97X-D/STO-3G

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)