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	hartrees
Energy at 0K	-2469.722742
Energy at 298.15K	-2469.726849
HF Energy	-2469.722742
Nuclear repulsion energy	184.875706

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3144	3037	11.99
2	A₁	3052	2947	22.47
3	A₁	1549	1496	0.40
4	A₁	1379	1332	2.32
5	A₁	1008	973	24.64
6	A₁	604	584	0.44
7	A₁	210	203	0.09
8	A₂	3143	3036	0.00
9	A₂	1531	1479	0.00
10	A₂	913	882	0.00
11	A₂	165	159	0.00
12	B₁	3139	3031	25.86
13	B₁	1541	1488	16.67
14	B₁	948	915	17.09
15	B₁	152	146	0.47
16	B₂	3145	3037	4.77
17	B₂	3055	2950	23.84
18	B₂	1540	1488	19.00
19	B₂	1355	1309	6.11
20	B₂	883	853	1.36
21	B₂	621	599	0.57

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.484
C2	0.000	1.459	-0.839
C3	0.000	-1.459	-0.839
H4	0.000	2.400	-0.279
H5	0.000	-2.400	-0.279
H6	0.900	1.400	-1.458
H7	-0.900	1.400	-1.458
H8	-0.900	-1.400	-1.458
H9	0.900	-1.400	-1.458

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9692	1.9692	2.5185	2.5185	2.5578	2.5578	2.5578	2.5578
C2	1.9692		2.9179	1.0946	3.8992	1.0941	1.0941	3.0606	3.0606
C3	1.9692	2.9179		3.8992	1.0946	3.0606	3.0606	1.0941	1.0941
H4	2.5185	1.0946	3.8992		4.8000	1.7886	1.7886	4.0791	4.0791
H5	2.5185	3.8992	1.0946	4.8000		4.0791	4.0791	1.7886	1.7886
H6	2.5578	1.0941	3.0606	1.7886	4.0791		1.7994	3.3284	2.8001
H7	2.5578	1.0941	3.0606	1.7886	4.0791	1.7994		2.8001	3.3284
H8	2.5578	3.0606	1.0941	4.0791	1.7886	3.3284	2.8001		1.7994
H9	2.5578	3.0606	1.0941	4.0791	1.7886	2.8001	3.3284	1.7994

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.086	Se1	C2	H6	109.911
Se1	C2	H7	109.911	Se1	C3	H5	107.086
Se1	C3	H8	109.911	Se1	C3	H9	109.911
C2	Se1	C3	95.611	H4	C2	H6	109.612
H4	C2	H7	109.612	H5	C3	H8	109.612
H5	C3	H9	109.612	H6	C2	H7	110.640
H8	C3	H9	110.640

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: TPSSh/3-21G*

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	0.083
2	C	-0.709
3	C	-0.709
4	H	0.225
5	H	0.225
6	H	0.221
7	H	0.221
8	H	0.221
9	H	0.221

<r²>	92.897
(<r²>)^1/2	9.638

All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: TPSSh/3-21G*

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)