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	hartrees
Energy at 0K	-2428.904729
Energy at 298.15K	-2428.906765
HF Energy	-2428.656292
Nuclear repulsion energy	98.927727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3150	3013	6.50
2	A'	3067	2934	16.06
3	A'	2424	2319	25.08
4	A'	1566	1498	7.23
5	A'	1401	1340	8.14
6	A'	1044	999	17.54
7	A'	747	714	0.63
8	A'	606	580	0.22
9	A"	3161	3024	7.27
10	A"	1558	1490	5.27
11	A"	958	916	8.51
12	A"	204	195	6.61

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.032	-0.428	0.000
C2	-0.032	1.558	0.000
H3	1.449	-0.536	0.000
H4	-1.084	1.866	0.000
H5	0.462	1.933	0.901
H6	0.462	1.933	-0.901

	Se1	C2	H3	H4	H5	H6
Se1		1.9862	1.4850	2.5238	2.5745	2.5745
C2	1.9862		2.5651	1.0958	1.0939	1.0939
H3	1.4850	2.5651		3.4909	2.8072	2.8072
H4	2.5238	1.0958	3.4909		1.7904	1.7904
H5	2.5745	1.0939	2.8072	1.7904		1.8029
H6	2.5745	1.0939	2.8072	1.7904	1.8029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.331	Se1	C2	H5	110.004
Se1	C2	H6	110.004	C2	Se1	H3	94.176
H4	C2	H5	109.701	H4	C2	H6	109.701
H5	C2	H6	110.991

All results from a given calculation for CH₃SeH (Methane selenol)

using model chemistry: CCD/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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All results from a given calculation for CH3SeH (Methane selenol)

using model chemistry: CCD/3-21G*

States and conformations

All results from a given calculation for CH₃SeH (Methane selenol)