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	hartrees
Energy at 0K	-2439.859605
Energy at 298.15K	-2439.861567
Nuclear repulsion energy	100.287631

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3061	4.70
2	A'	3088	2960	17.29
3	A'	2461	2358	26.15
4	A'	1492	1430	7.79
5	A'	1328	1273	9.86
6	A'	1025	982	19.36
7	A'	752	720	0.20
8	A'	588	564	0.16
9	A"	3202	3069	4.39
10	A"	1484	1422	4.48
11	A"	917	879	9.11
12	A"	173	166	6.32

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.031	-0.421	0.000
C2	-0.031	1.535	0.000
H3	1.422	-0.553	0.000
H4	-1.080	1.835	0.000
H5	0.453	1.913	0.899
H6	0.453	1.913	-0.899

	Se1	C2	H3	H4	H5	H6
Se1		1.9558	1.4590	2.4882	2.5482	2.5482
C2	1.9558		2.5434	1.0909	1.0895	1.0895
H3	1.4590	2.5434		3.4586	2.7981	2.7981
H4	2.4882	1.0909	3.4586		1.7791	1.7791
H5	2.5482	1.0895	2.7981	1.7791		1.7987
H6	2.5482	1.0895	2.7981	1.7791	1.7987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.002	Se1	C2	H5	110.342
Se1	C2	H6	110.342	C2	Se1	H3	95.177
H4	C2	H5	109.364	H4	C2	H6	109.364
H5	C2	H6	111.281

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

using model chemistry: B3PW91/6-31G**

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	-0.140
2	C	-0.469
3	H	0.103
4	H	0.167
5	H	0.169
6	H	0.169

	x	y	z	Total
	0.582	1.389	0.000	1.506
CHELPG
AIM
ESP

	x	y	z
x	4.656	-0.237	0.000
y	-0.237	5.849	0.000
z	0.000	0.000	3.908

<r²>	52.213
(<r²>)^1/2	7.226

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

using model chemistry: B3PW91/6-31G**

States and conformations

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