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	hartrees
Energy at 0K	-2414.419491
Energy at 298.15K	-2414.421307
Nuclear repulsion energy	99.915513

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3432	3135	0.39
2	A'	3246	2965	1.36
3	A'	2529	2311	13.09
4	A'	1640	1498	6.50
5	A'	1473	1346	4.80
6	A'	1099	1004	20.57
7	A'	813	743	2.07
8	A'	670	612	0.72
9	A"	3411	3116	2.41
10	A"	1634	1493	5.68
11	A"	1007	920	2.19
12	A"	97	89	13.59

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.032	-0.424	0.000
C2	-0.032	1.529	0.000
H3	1.439	-0.505	0.000
H4	-1.082	1.870	0.000
H5	0.465	1.935	0.900
H6	0.465	1.935	-0.900

	Se1	C2	H3	H4	H5	H6
Se1		1.9525	1.4739	2.5224	2.5734	2.5734
C2	1.9525		2.5102	1.1036	1.1056	1.1056
H3	1.4739	2.5102		3.4635	2.7772	2.7772
H4	2.5224	1.1036	3.4635		1.7909	1.7909
H5	2.5734	1.1056	2.7772	1.7909		1.7992
H6	2.5734	1.1056	2.7772	1.7909	1.7992

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	108.006	Se1	C2	H5	111.580
Se1	C2	H6	111.580	C2	Se1	H3	93.151
H4	C2	H5	108.324	H4	C2	H6	108.324
H5	C2	H6	108.918

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

using model chemistry: PBEPBE/STO-3G

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	0.031
2	C	-0.309
3	H	0.003
4	H	0.096
5	H	0.090
6	H	0.090

	x	y	z	Total
	0.924	1.112	0.000	1.445
CHELPG
AIM
ESP

	x	y	z
x	2.300	-0.286	0.000
y	-0.286	2.905	0.000
z	0.000	0.000	1.010

<r²>	51.529
(<r²>)^1/2	7.178

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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