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	hartrees
Energy at 0K	-2440.028747
Energy at 298.15K	-2440.030686
Nuclear repulsion energy	99.524988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3080	3063	6.55
2	A'	2994	2977	16.02
3	A'	2339	2327	22.57
4	A'	1448	1440	5.19
5	A'	1273	1266	13.25
6	A'	978	973	13.53
7	A'	700	697	0.01
8	A'	581	578	0.04
9	A"	3086	3069	6.39
10	A"	1437	1429	2.38
11	A"	888	884	6.29
12	A"	186	185	2.99

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.032	-0.424	0.000
C2	-0.032	1.544	0.000
H3	1.442	-0.553	0.000
H4	-1.087	1.846	0.000
H5	0.455	1.934	0.902
H6	0.455	1.934	-0.902

	Se1	C2	H3	H4	H5	H6
Se1		1.9684	1.4793	2.5036	2.5709	2.5709
C2	1.9684		2.5628	1.0975	1.0961	1.0961
H3	1.4793	2.5628		3.4856	2.8231	2.8231
H4	2.5036	1.0975	3.4856		1.7879	1.7879
H5	2.5709	1.0961	2.8231	1.7879		1.8038
H6	2.5709	1.0961	2.8231	1.7879	1.8038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	105.974	Se1	C2	H5	110.814
Se1	C2	H6	110.814	C2	Se1	H3	94.975
H4	C2	H5	109.184	H4	C2	H6	109.184
H5	C2	H6	110.737

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.083
2	C	-0.422
3	H	0.096
4	H	0.137
5	H	0.136
6	H	0.136

	x	y	z	Total
	0.380	1.303	0.000	1.358
CHELPG
AIM
ESP

	x	y	z
x	5.216	-0.212	0.000
y	-0.212	6.551	0.000
z	0.000	0.000	4.668

<r²>	52.839
(<r²>)^1/2	7.269

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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