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	hartrees
Energy at 0K	-2479.780185
Energy at 298.15K	-2479.784308
HF Energy	-2479.141891
Nuclear repulsion energy	187.164486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3165	3046	8.83
2	A₁	3065	2950	23.15
3	A₁	1504	1447	0.63
4	A₁	1352	1301	1.63
5	A₁	995	957	13.86
6	A₁	619	596	0.09
7	A₁	215	207	0.00
8	A₂	3161	3042	0.00
9	A₂	1485	1429	0.00
10	A₂	915	881	0.00
11	A₂	149	143	0.00
12	B₁	3155	3036	13.24
13	B₁	1494	1437	10.79
14	B₁	943	908	6.54
15	B₁	157	151	0.20
16	B₂	3165	3046	2.97
17	B₂	3069	2954	22.09
18	B₂	1498	1441	12.19
19	B₂	1331	1281	8.15
20	B₂	873	840	0.11
21	B₂	637	613	0.94

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.475
C2	0.000	1.444	-0.822
C3	0.000	-1.444	-0.822
H4	0.000	2.379	-0.266
H5	0.000	-2.379	-0.266
H6	0.894	1.391	-1.440
H7	-0.894	1.391	-1.440
H8	-0.894	-1.391	-1.440
H9	0.894	-1.391	-1.440

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9411	1.9411	2.4922	2.4922	2.5300	2.5300	2.5300	2.5300
C2	1.9411		2.8881	1.0880	3.8636	1.0879	1.0879	3.0359	3.0359
C3	1.9411	2.8881		3.8636	1.0880	3.0359	3.0359	1.0879	1.0879
H4	2.4922	1.0880	3.8636		4.7588	1.7760	1.7760	4.0485	4.0485
H5	2.4922	3.8636	1.0880	4.7588		4.0485	4.0485	1.7760	1.7760
H6	2.5300	1.0879	3.0359	1.7760	4.0485		1.7873	3.3061	2.7814
H7	2.5300	1.0879	3.0359	1.7760	4.0485	1.7873		2.7814	3.3061
H8	2.5300	3.0359	1.0879	4.0485	1.7760	3.3061	2.7814		1.7873
H9	2.5300	3.0359	1.0879	4.0485	1.7760	2.7814	3.3061	1.7873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.351	Se1	C2	H6	110.073
Se1	C2	H7	110.073	Se1	C3	H5	107.351
Se1	C3	H8	110.073	Se1	C3	H9	110.073
C2	Se1	C3	96.138	H4	C2	H6	109.418
H4	C2	H7	109.418	H5	C3	H8	109.418
H5	C3	H9	109.418	H6	C2	H7	110.450
H8	C3	H9	110.450

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: QCISD/aug-cc-pVTZ

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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All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: QCISD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)