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	hartrees
Energy at 0K	-2439.510238
Energy at 298.15K	-2439.512182
HF Energy	-2439.510238
Nuclear repulsion energy	100.735709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3049	4.16
2	A'	3091	2951	19.32
3	A'	2443	2333	24.98
4	A'	1490	1422	9.50
5	A'	1342	1282	7.93
6	A'	1037	990	21.91
7	A'	745	712	0.62
8	A'	607	580	0.00
9	A"	3201	3056	2.32
10	A"	1477	1410	5.45
11	A"	948	905	9.16
12	A"	149	142	7.73

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.031	-0.418	0.000
C2	-0.031	1.523	0.000
H3	1.421	-0.566	0.000
H4	-1.080	1.825	0.000
H5	0.451	1.914	0.896
H6	0.451	1.914	-0.896

	Se1	C2	H3	H4	H5	H6
Se1		1.9416	1.4594	2.4764	2.5451	2.5451
C2	1.9416		2.5442	1.0916	1.0901	1.0901
H3	1.4594	2.5442		3.4599	2.8103	2.8103
H4	2.4764	1.0916	3.4599		1.7760	1.7760
H5	2.5451	1.0901	2.8103	1.7760		1.7925
H6	2.5451	1.0901	2.8103	1.7760	1.7925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.044	Se1	C2	H5	111.038
Se1	C2	H6	111.038	C2	Se1	H3	95.808
H4	C2	H5	108.988	H4	C2	H6	108.988
H5	C2	H6	110.604

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

using model chemistry: HSEh1PBE/6-31+G**

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	-0.151
2	C	-0.541
3	H	0.115
4	H	0.189
5	H	0.194
6	H	0.194

	x	y	z	Total
	0.643	1.466	0.000	1.601
CHELPG
AIM
ESP

	x	y	z
x	4.875	-0.205	0.000
y	-0.205	6.435	0.000
z	0.000	0.000	4.987

<r²>	52.258
(<r²>)^1/2	7.229

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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