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	hartrees
Energy at 0K	-2439.991763
Energy at 298.15K	-2439.993859
Nuclear repulsion energy	100.329857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3308	2992	13.61
2	A'	3220	2912	37.64
3	A'	2525	2283	33.01
4	A'	1619	1464	7.46
5	A'	1461	1322	20.29
6	A'	1103	997	23.48
7	A'	769	695	1.42
8	A'	629	569	0.80
9	A"	3320	3002	12.80
10	A"	1609	1455	4.78
11	A"	1005	909	8.28
12	A"	212	192	6.21

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.031	-0.421	0.000
C2	-0.031	1.536	0.000
H3	1.423	-0.579	0.000
H4	-1.068	1.841	0.000
H5	0.452	1.914	0.887
H6	0.452	1.914	-0.887

	Se1	C2	H3	H4	H5	H6
Se1		1.9568	1.4635	2.4883	2.5437	2.5437
C2	1.9568		2.5670	1.0804	1.0786	1.0786
H3	1.4635	2.5670		3.4733	2.8184	2.8184
H4	2.4883	1.0804	3.4733		1.7611	1.7611
H5	2.5437	1.0786	2.8184	1.7611		1.7744
H6	2.5437	1.0786	2.8184	1.7611	1.7744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.423	Se1	C2	H5	110.495
Se1	C2	H6	110.495	C2	Se1	H3	96.201
H4	C2	H5	109.320	H4	C2	H6	109.320
H5	C2	H6	110.683

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

using model chemistry: HF/6-311G*

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	-0.143
2	C	-0.723
3	H	0.135
4	H	0.240
5	H	0.245
6	H	0.245

	x	y	z	Total
	0.617	1.495	0.000	1.618
CHELPG
AIM
ESP

	x	y	z
x	4.806	-0.295	0.000
y	-0.295	6.138	0.000
z	0.000	0.000	3.764

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311G*

States and conformations

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