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	hartrees
Energy at 0K	-2443.251302
Energy at 298.15K	-2443.253165
HF Energy	-2443.251302
Nuclear repulsion energy	99.326066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3104	3064	6.82
2	A'	3008	2969	20.73
3	A'	2298	2268	20.10
4	A'	1452	1433	6.45
5	A'	1280	1264	9.80
6	A'	981	968	11.68
7	A'	701	692	0.07
8	A'	553	546	0.08
9	A"	3109	3068	4.20
10	A"	1442	1423	3.59
11	A"	896	884	6.02
12	A"	145	143	3.10

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.032	-0.426	0.000
C2	-0.032	1.554	0.000
H3	1.438	-0.553	0.000
H4	-1.082	1.849	0.000
H5	0.456	1.929	0.899
H6	0.456	1.929	-0.899

	Se1	C2	H3	H4	H5	H6
Se1		1.9793	1.4748	2.5057	2.5675	2.5675
C2	1.9793		2.5684	1.0910	1.0895	1.0895
H3	1.4748	2.5684		3.4811	2.8164	2.8164
H4	2.5057	1.0910	3.4811		1.7833	1.7833
H5	2.5675	1.0895	2.8164	1.7833		1.7975
H6	2.5675	1.0895	2.8164	1.7833	1.7975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	105.855	Se1	C2	H5	110.509
Se1	C2	H6	110.509	C2	Se1	H3	95.023
H4	C2	H5	109.446	H4	C2	H6	109.446
H5	C2	H6	110.941

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

using model chemistry: B97D3/6-311+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	-0.088
2	C	-0.464
3	H	0.107
4	H	0.139
5	H	0.153
6	H	0.153

	x	y	z	Total
	0.426	1.342	0.000	1.407
CHELPG
AIM
ESP

	x	y	z
x	5.981	-0.183	0.000
y	-0.183	7.749	0.000
z	0.000	0.000	6.147

<r²>	53.244
(<r²>)^1/2	7.297

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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