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	hartrees
Energy at 0K	-2480.950824
Energy at 298.15K	-2480.954914
HF Energy	-2480.950824
Nuclear repulsion energy	186.290661

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3171	3043	11.79
2	A₁	3066	2942	28.40
3	A₁	1496	1436	0.76
4	A₁	1343	1289	2.07
5	A₁	992	952	24.82
6	A₁	603	579	0.28
7	A₁	211	203	0.02
8	A₂	3165	3038	0.00
9	A₂	1477	1417	0.00
10	A₂	907	870	0.00
11	A₂	162	155	0.00
12	B₁	3159	3032	23.32
13	B₁	1487	1427	20.00
14	B₁	938	900	16.82
15	B₁	154	148	0.46
16	B₂	3172	3043	3.84
17	B₂	3069	2945	26.86
18	B₂	1488	1428	20.57
19	B₂	1320	1267	4.60
20	B₂	870	835	0.48
21	B₂	618	593	1.03

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.475
C2	0.000	1.456	-0.821
C3	0.000	-1.456	-0.821
H4	0.000	2.390	-0.258
H5	0.000	-2.390	-0.258
H6	0.894	1.415	-1.443
H7	-0.894	1.415	-1.443
H8	-0.894	-1.415	-1.443
H9	0.894	-1.415	-1.443

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9496	1.9496	2.4994	2.4994	2.5461	2.5461	2.5461	2.5461
C2	1.9496		2.9127	1.0900	3.8869	1.0902	1.0902	3.0713	3.0713
C3	1.9496	2.9127		3.8869	1.0900	3.0713	3.0713	1.0902	1.0902
H4	2.4994	1.0900	3.8869		4.7791	1.7759	1.7759	4.0843	4.0843
H5	2.4994	3.8869	1.0900	4.7791		4.0843	4.0843	1.7759	1.7759
H6	2.5461	1.0902	3.0713	1.7759	4.0843		1.7888	3.3485	2.8306
H7	2.5461	1.0902	3.0713	1.7759	4.0843	1.7888		2.8306	3.3485
H8	2.5461	3.0713	1.0902	4.0843	1.7759	3.3485	2.8306		1.7888
H9	2.5461	3.0713	1.0902	4.0843	1.7759	2.8306	3.3485	1.7888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.214	Se1	C2	H6	110.561
Se1	C2	H7	110.561	Se1	C3	H5	107.214
Se1	C3	H8	110.561	Se1	C3	H9	110.561
C2	Se1	C3	96.658	H4	C2	H6	109.089
H4	C2	H7	109.089	H5	C3	H8	109.089
H5	C3	H9	109.089	H6	C2	H7	110.253
H8	C3	H9	110.253

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: HSEh1PBE/6-311G*

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	0.072
2	C	-0.788
3	C	-0.788
4	H	0.254
5	H	0.254
6	H	0.249
7	H	0.249
8	H	0.249
9	H	0.249

<r²>	92.350
(<r²>)^1/2	9.610

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)