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	hartrees
Energy at 0K	-2440.012928
Energy at 298.15K	-2440.015027
Nuclear repulsion energy	100.653298

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3284	2984	8.22
2	A'	3197	2905	27.71
3	A'	2568	2333	23.18
4	A'	1602	1455	6.69
5	A'	1443	1311	13.50
6	A'	1095	995	17.48
7	A'	767	697	1.02
8	A'	635	577	0.52
9	A"	3294	2993	5.73
10	A"	1589	1443	4.44
11	A"	997	906	5.07
12	A"	211	191	4.93

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.031	-0.419	0.000
C2	-0.031	1.532	0.000
H3	1.413	-0.589	0.000
H4	-1.068	1.834	0.000
H5	0.452	1.908	0.887
H6	0.452	1.908	-0.887

	Se1	C2	H3	H4	H5	H6
Se1		1.9508	1.4539	2.4797	2.5366	2.5366
C2	1.9508		2.5657	1.0795	1.0776	1.0776
H3	1.4539	2.5657		3.4673	2.8185	2.8185
H4	2.4797	1.0795	3.4673		1.7611	1.7611
H5	2.5366	1.0776	2.8185	1.7611		1.7735
H6	2.5366	1.0776	2.8185	1.7611	1.7735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.242	Se1	C2	H5	110.424
Se1	C2	H6	110.424	C2	Se1	H3	96.719
H4	C2	H5	109.449	H4	C2	H6	109.449
H5	C2	H6	110.744

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

using model chemistry: HF/6-311+G(3df,2p)

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	-0.035
2	C	-0.480
3	H	0.089
4	H	0.136
5	H	0.145
6	H	0.145

	x	y	z	Total
	0.571	1.504	0.000	1.609
CHELPG
AIM
ESP

	x	y	z
x	5.619	-0.203	0.000
y	-0.203	7.253	0.000
z	0.000	0.000	5.586

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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