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	hartrees
Energy at 0K	-2437.773648
Energy at 298.15K	-2437.775778
Nuclear repulsion energy	100.722750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3322	2999	9.37
2	A'	3226	2911	30.30
3	A'	2648	2390	30.44
4	A'	1615	1458	6.07
5	A'	1459	1317	19.45
6	A'	1116	1007	22.20
7	A'	799	721	0.97
8	A'	626	565	1.08
9	A"	3335	3010	8.75
10	A"	1605	1449	3.57
11	A"	1000	903	6.64
12	A"	232	209	6.85

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.031	-0.419	0.000
C2	-0.031	1.532	0.000
H3	1.404	-0.577	0.000
H4	-1.068	1.836	0.000
H5	0.453	1.904	0.890
H6	0.453	1.904	-0.890

	Se1	C2	H3	H4	H5	H6
Se1		1.9512	1.4441	2.4828	2.5348	2.5348
C2	1.9512		2.5508	1.0809	1.0792	1.0792
H3	1.4441	2.5508		3.4550	2.8022	2.8022
H4	2.4828	1.0809	3.4550		1.7635	1.7635
H5	2.5348	1.0792	2.8022	1.7635		1.7796
H6	2.5348	1.0792	2.8022	1.7635	1.7796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.368	Se1	C2	H5	110.190
Se1	C2	H6	110.190	C2	Se1	H3	96.256
H4	C2	H5	109.451	H4	C2	H6	109.451
H5	C2	H6	111.073

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

using model chemistry: HF/6-31G**

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	-0.128
2	C	-0.416
3	H	0.084
4	H	0.152
5	H	0.154
6	H	0.154

	x	y	z	Total
	0.639	1.491	0.000	1.622
CHELPG
AIM
ESP

	x	y	z
x	4.566	-0.293	0.000
y	-0.293	5.832	0.000
z	0.000	0.000	3.806

<r²>	52.258
(<r²>)^1/2	7.229

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

using model chemistry: HF/6-31G**

States and conformations

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