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	hartrees
Energy at 0K	-2439.869676
Energy at 298.15K	-2439.871572
Nuclear repulsion energy	98.627282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3103	3079	8.00
2	A'	3007	2984	18.36
3	A'	2306	2289	33.63
4	A'	1461	1450	5.84
5	A'	1285	1275	17.19
6	A'	988	981	16.64
7	A'	718	712	0.03
8	A'	538	534	0.32
9	A"	3111	3087	7.51
10	A"	1453	1442	2.93
11	A"	884	877	8.09
12	A"	174	173	4.51

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.032	-0.429	0.000
C2	-0.032	1.567	0.000
H3	1.439	-0.552	0.000
H4	-1.088	1.863	0.000
H5	0.458	1.943	0.906
H6	0.458	1.943	-0.906

	Se1	C2	H3	H4	H5	H6
Se1		1.9966	1.4759	2.5244	2.5860	2.5860
C2	1.9966		2.5797	1.0973	1.0959	1.0959
H3	1.4759	2.5797		3.4960	2.8300	2.8300
H4	2.5244	1.0973	3.4960		1.7934	1.7934
H5	2.5860	1.0959	2.8300	1.7934		1.8116
H6	2.5860	1.0959	2.8300	1.7934	1.8116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	105.653	Se1	C2	H5	110.045
Se1	C2	H6	110.045	C2	Se1	H3	94.773
H4	C2	H5	109.718	H4	C2	H6	109.718
H5	C2	H6	111.496

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

using model chemistry: BLYP/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	-0.118
2	C	-0.356
3	H	0.076
4	H	0.131
5	H	0.133
6	H	0.133

	x	y	z	Total
	0.495	1.319	0.000	1.409
CHELPG
AIM
ESP

	x	y	z
x	4.729	-0.234	0.000
y	-0.234	6.039	0.000
z	0.000	0.000	3.918

<r²>	53.580
(<r²>)^1/2	7.320

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

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

States and conformations

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