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	hartrees
Energy at 0K	-2430.120981
Energy at 298.15K	-2430.122997
HF Energy	-2430.120981
Nuclear repulsion energy	99.163253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3203	3085	3.38
2	A'	3107	2993	15.64
3	A'	2176	2096	68.35
4	A'	1538	1482	15.56
5	A'	1395	1344	3.17
6	A'	1043	1005	33.31
7	A'	723	697	1.51
8	A'	609	587	0.08
9	A"	3209	3092	5.84
10	A"	1533	1476	13.04
11	A"	954	919	14.60
12	A"	194	186	9.06

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.032	-0.426	0.000
C2	-0.032	1.551	0.000
H3	1.459	-0.544	0.000
H4	-1.080	1.858	0.000
H5	0.454	1.936	0.897
H6	0.454	1.936	-0.897

	Se1	C2	H3	H4	H5	H6
Se1		1.9768	1.4959	2.5126	2.5733	2.5733
C2	1.9768		2.5714	1.0917	1.0904	1.0904
H3	1.4959	2.5714		3.4949	2.8226	2.8226
H4	2.5126	1.0917	3.4949		1.7785	1.7785
H5	2.5733	1.0904	2.8226	1.7785		1.7932
H6	2.5733	1.0904	2.8226	1.7785	1.7932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.327	Se1	C2	H5	110.715
Se1	C2	H6	110.715	C2	Se1	H3	94.522
H4	C2	H5	109.173	H4	C2	H6	109.173
H5	C2	H6	110.623

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

using model chemistry: HSEh1PBE/3-21G

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	0.142
2	C	-0.928
3	H	0.016
4	H	0.258
5	H	0.256
6	H	0.256

	x	y	z	Total
	0.692	1.288	0.000	1.462
CHELPG
AIM
ESP

	x	y	z
x	4.347	-0.310	0.000
y	-0.310	5.308	0.000
z	0.000	0.000	2.528

<r²>	53.300
(<r²>)^1/2	7.301

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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