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	hartrees
Energy at 0K	-2439.483237
Energy at 298.15K	-2439.485229
Nuclear repulsion energy	100.203242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3210	3053	4.57
2	A'	3108	2956	16.99
3	A'	2404	2286	28.80
4	A'	1514	1440	8.47
5	A'	1346	1280	9.12
6	A'	1027	977	20.20
7	A'	742	705	0.23
8	A'	595	566	0.13
9	A"	3221	3063	4.18
10	A"	1506	1432	5.04
11	A"	922	876	9.47
12	A"	195	186	5.97

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.032	-0.420	0.000
C2	-0.032	1.531	0.000
H3	1.447	-0.549	0.000
H4	-1.080	1.834	0.000
H5	0.453	1.911	0.899
H6	0.453	1.911	-0.899

	Se1	C2	H3	H4	H5	H6
Se1		1.9518	1.4842	2.4865	2.5454	2.5454
C2	1.9518		2.5519	1.0914	1.0898	1.0898
H3	1.4842	2.5519		3.4733	2.8009	2.8009
H4	2.4865	1.0914	3.4733		1.7793	1.7793
H5	2.5454	1.0898	2.8009	1.7793		1.7985
H6	2.5454	1.0898	2.8009	1.7793	1.7985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.104	Se1	C2	H5	110.379
Se1	C2	H6	110.379	C2	Se1	H3	94.950
H4	C2	H5	109.319	H4	C2	H6	109.319
H5	C2	H6	111.202

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

using model chemistry: HSEh1PBE/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	-0.163
2	C	-0.599
3	H	0.134
4	H	0.208
5	H	0.210
6	H	0.210

	x	y	z	Total
	0.572	1.393	0.000	1.506
CHELPG
AIM
ESP

	x	y	z
x	4.685	-0.246	0.000
y	-0.246	5.773	0.000
z	0.000	0.000	3.866

<r²>	52.242
(<r²>)^1/2	7.228

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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