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	hartrees
Energy at 0K	-2440.003572
Energy at 298.15K	-2440.005677
Nuclear repulsion energy	100.296459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3317	3012	7.05
2	A'	3213	2917	31.82
3	A'	2580	2343	36.41
4	A'	1578	1433	6.86
5	A'	1422	1291	18.84
6	A'	1091	991	20.47
7	A'	765	695	0.79
8	A'	629	571	0.71
9	A"	3326	3020	7.78
10	A"	1567	1423	4.57
11	A"	988	897	7.23
12	A"	221	201	6.99

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.031	-0.421	0.000
C2	-0.031	1.535	0.000
H3	1.419	-0.580	0.000
H4	-1.077	1.838	0.000
H5	0.455	1.915	0.895
H6	0.455	1.915	-0.895

	Se1	C2	H3	H4	H5	H6
Se1		1.9557	1.4585	2.4890	2.5484	2.5484
C2	1.9557		2.5643	1.0887	1.0872	1.0872
H3	1.4585	2.5643		3.4748	2.8205	2.8205
H4	2.4890	1.0887	3.4748		1.7761	1.7761
H5	2.5484	1.0872	2.8205	1.7761		1.7895
H6	2.5484	1.0872	2.8205	1.7761	1.7895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.158	Se1	C2	H5	110.473
Se1	C2	H6	110.473	C2	Se1	H3	96.274
H4	C2	H5	109.427	H4	C2	H6	109.427
H5	C2	H6	110.769

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

using model chemistry: HF/cc-pVDZ

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	-0.050
2	C	-0.208
3	H	0.030
4	H	0.076
5	H	0.077
6	H	0.077

	x	y	z	Total
	0.625	1.388	0.000	1.522
CHELPG
AIM
ESP

	x	y	z
x	4.657	-0.351	0.000
y	-0.351	6.011	0.000
z	0.000	0.000	3.315

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/cc-pVDZ

States and conformations

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