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	hartrees
Energy at 0K	-16.917221
Energy at 298.15K	-16.919292
Nuclear repulsion energy	20.367137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3317	3026	15.74
2	A'	3190	2911	46.61
3	A'	2475	2258	101.04
4	A'	1608	1467	8.36
5	A'	1466	1338	18.13
6	A'	1110	1013	40.44
7	A'	767	700	4.66
8	A'	605	552	0.60
9	A"	3321	3030	21.87
10	A"	1602	1462	10.28
11	A"	1019	929	12.59
12	A"	194	177	9.51

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.032	-0.428	0.000
C2	-0.032	1.565	0.000
H3	1.437	-0.578	0.000
H4	-1.071	1.864	0.000
H5	0.456	1.935	0.890
H6	0.456	1.935	-0.890

	Se1	C2	H3	H4	H5	H6
Se1		1.9925	1.4764	2.5163	2.5714	2.5714
C2	1.9925		2.5978	1.0813	1.0802	1.0802
H3	1.4764	2.5978		3.5004	2.8403	2.8403
H4	2.5163	1.0813	3.5004		1.7689	1.7689
H5	2.5714	1.0802	2.8403	1.7689		1.7790
H6	2.5714	1.0802	2.8403	1.7689	1.7790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.070	Se1	C2	H5	110.045
Se1	C2	H6	110.045	C2	Se1	H3	95.842
H4	C2	H5	109.849	H4	C2	H6	109.849
H5	C2	H6	110.871

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

using model chemistry: HF/CEP-121G

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	0.200
2	C	-0.688
3	H	-0.054
4	H	0.184
5	H	0.179
6	H	0.179

	x	y	z	Total
	0.830	1.632	0.000	1.831
CHELPG
AIM
ESP

	x	y	z
x	4.629	-0.423	0.000
y	-0.423	6.156	0.000
z	0.000	0.000	2.440

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/CEP-121G

States and conformations

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