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	hartrees
Energy at 0K	-2440.100654
Energy at 298.15K	-2440.102750
Nuclear repulsion energy	100.666250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	2984	8.63
2	A'	3199	2906	27.74
3	A'	2571	2335	24.66
4	A'	1601	1455	6.36
5	A'	1443	1311	14.69
6	A'	1095	995	17.80
7	A'	766	696	1.00
8	A'	635	577	0.46
9	A"	3296	2994	6.65
10	A"	1588	1442	4.22
11	A"	998	907	5.37
12	A"	209	190	5.00

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.031	-0.419	0.000
C2	-0.031	1.532	0.000
H3	1.412	-0.590	0.000
H4	-1.067	1.834	0.000
H5	0.452	1.907	0.886
H6	0.452	1.907	-0.886

	Se1	C2	H3	H4	H5	H6
Se1		1.9508	1.4535	2.4796	2.5359	2.5359
C2	1.9508		2.5660	1.0789	1.0770	1.0770
H3	1.4535	2.5660		3.4670	2.8182	2.8182
H4	2.4796	1.0789	3.4670		1.7602	1.7602
H5	2.5359	1.0770	2.8182	1.7602		1.7724
H6	2.5359	1.0770	2.8182	1.7602	1.7724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.259	Se1	C2	H5	110.407
Se1	C2	H6	110.407	C2	Se1	H3	96.745
H4	C2	H5	109.461	H4	C2	H6	109.461
H5	C2	H6	110.737

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

using model chemistry: HF/cc-pVQZ

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	-0.065
2	C	-0.258
3	H	0.039
4	H	0.085
5	H	0.099
6	H	0.099

	x	y	z	Total
	0.570	1.493	0.000	1.598
CHELPG
AIM
ESP

	x	y	z
x	5.446	-0.224	0.000
y	-0.224	7.040	0.000
z	0.000	0.000	4.988

<r²>	52.424
(<r²>)^1/2	7.240

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

using model chemistry: HF/cc-pVQZ

States and conformations

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