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	hartrees
Energy at 0K	-2440.160087
Energy at 298.15K	-2440.162028
Nuclear repulsion energy	100.631935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3204	3059	4.59
2	A'	3098	2958	16.69
3	A'	2484	2372	25.01
4	A'	1492	1424	7.56
5	A'	1326	1267	10.03
6	A'	1025	979	19.25
7	A'	753	719	0.18
8	A'	596	569	0.12
9	A"	3214	3068	4.27
10	A"	1484	1417	4.24
11	A"	915	874	8.78
12	A"	157	150	6.10

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.031	-0.420	0.000
C2	-0.031	1.528	0.000
H3	1.419	-0.547	0.000
H4	-1.078	1.829	0.000
H5	0.452	1.907	0.898
H6	0.452	1.907	-0.898

	Se1	C2	H3	H4	H5	H6
Se1		1.9479	1.4556	2.4801	2.5403	2.5403
C2	1.9479		2.5320	1.0890	1.0875	1.0875
H3	1.4556	2.5320		3.4467	2.7867	2.7867
H4	2.4801	1.0890	3.4467		1.7755	1.7755
H5	2.5403	1.0875	2.7867	1.7755		1.7954
H6	2.5403	1.0875	2.7867	1.7755	1.7954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.015	Se1	C2	H5	110.386
Se1	C2	H6	110.386	C2	Se1	H3	95.036
H4	C2	H5	109.319	H4	C2	H6	109.319
H5	C2	H6	111.267

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

using model chemistry: B1B95/6-31G**

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	-0.138
2	C	-0.444
3	H	0.100
4	H	0.159
5	H	0.161
6	H	0.161

	x	y	z	Total
	0.565	1.359	0.000	1.472
CHELPG
AIM
ESP

	x	y	z
x	4.629	-0.237	0.000
y	-0.237	5.822	0.000
z	0.000	0.000	3.886

<r²>	51.948
(<r²>)^1/2	7.207

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

using model chemistry: B1B95/6-31G**

States and conformations

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