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	hartrees
Energy at 0K	-2441.612968
Energy at 298.15K	-2441.614858
Nuclear repulsion energy	99.252008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3099	3071	5.39
2	A'	3003	2975	17.34
3	A'	2298	2277	24.10
4	A'	1431	1418	8.79
5	A'	1268	1256	9.00
6	A'	971	963	17.54
7	A'	698	692	0.11
8	A'	568	562	0.00
9	A"	3104	3076	4.77
10	A"	1421	1408	5.74
11	A"	886	878	10.23
12	A"	160	159	5.49

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.032	-0.426	0.000
C2	-0.032	1.551	0.000
H3	1.446	-0.548	0.000
H4	-1.088	1.848	0.000
H5	0.455	1.935	0.903
H6	0.455	1.935	-0.903

	Se1	C2	H3	H4	H5	H6
Se1		1.9763	1.4830	2.5066	2.5740	2.5740
C2	1.9763		2.5669	1.0971	1.0957	1.0957
H3	1.4830	2.5669		3.4872	2.8223	2.8223
H4	2.5066	1.0971	3.4872		1.7897	1.7897
H5	2.5740	1.0957	2.8223	1.7897		1.8068
H6	2.5740	1.0957	2.8223	1.7897	1.8068

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	105.711	Se1	C2	H5	110.539
Se1	C2	H6	110.539	C2	Se1	H3	94.737
H4	C2	H5	109.411	H4	C2	H6	109.411
H5	C2	H6	111.081

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

using model chemistry: PBEPBE/6-311G**

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	-0.092
2	C	-0.435
3	H	0.064
4	H	0.150
5	H	0.157
6	H	0.157

	x	y	z	Total
	0.548	1.319	0.000	1.428
CHELPG
AIM
ESP

	x	y	z
x	5.100	-0.238	0.000
y	-0.238	6.458	0.000
z	0.000	0.000	4.028

<r²>	53.271
(<r²>)^1/2	7.299

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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