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	hartrees
Energy at 0K	-16.911883
Energy at 298.15K	-16.913954
Nuclear repulsion energy	20.329694

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3370	3037	27.35
2	A'	3246	2926	66.59
3	A'	2443	2202	167.97
4	A'	1610	1451	8.93
5	A'	1471	1326	19.23
6	A'	1112	1002	43.90
7	A'	765	689	6.52
8	A'	600	541	1.35
9	A"	3371	3039	34.20
10	A"	1604	1446	11.02
11	A"	1015	915	10.55
12	A"	209	188	13.59

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.032	-0.428	0.000
C2	-0.032	1.566	0.000
H3	1.438	-0.579	0.000
H4	-1.075	1.863	0.000
H5	0.458	1.937	0.893
H6	0.458	1.937	-0.893

	Se1	C2	H3	H4	H5	H6
Se1		1.9939	1.4780	2.5179	2.5750	2.5750
C2	1.9939		2.6005	1.0851	1.0841	1.0841
H3	1.4780	2.6005		3.5050	2.8442	2.8442
H4	2.5179	1.0851	3.5050		1.7760	1.7760
H5	2.5750	1.0841	2.8442	1.7760		1.7862
H6	2.5750	1.0841	2.8442	1.7760	1.7862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	105.916	Se1	C2	H5	110.017
Se1	C2	H6	110.017	C2	Se1	H3	95.866
H4	C2	H5	109.919	H4	C2	H6	109.919
H5	C2	H6	110.934

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

using model chemistry: HF/CEP-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	0.082
2	C	-0.532
3	H	-0.038
4	H	0.161
5	H	0.163
6	H	0.163

	x	y	z	Total
	0.988	1.715	0.000	1.979
CHELPG
AIM
ESP

	x	y	z
x	4.014	-0.396	0.000
y	-0.396	6.106	0.000
z	0.000	0.000	2.317

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/CEP-31G

States and conformations

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