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	hartrees
Energy at 0K	-2442.075393
Energy at 298.15K	-2442.077329
Nuclear repulsion energy	99.433750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3153	3048	6.71
2	A'	3062	2960	19.86
3	A'	2355	2277	27.62
4	A'	1483	1433	8.18
5	A'	1319	1276	11.80
6	A'	1005	972	18.04
7	A'	717	693	0.24
8	A'	573	554	0.07
9	A"	3160	3055	5.97
10	A"	1473	1424	5.48
11	A"	917	887	9.56
12	A"	168	163	5.20

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.032	-0.425	0.000
C2	-0.032	1.551	0.000
H3	1.435	-0.557	0.000
H4	-1.079	1.849	0.000
H5	0.454	1.931	0.896
H6	0.454	1.931	-0.896

	Se1	C2	H3	H4	H5	H6
Se1		1.9769	1.4725	2.5041	2.5675	2.5675
C2	1.9769		2.5680	1.0892	1.0877	1.0877
H3	1.4725	2.5680		3.4797	2.8205	2.8205
H4	2.5041	1.0892	3.4797		1.7778	1.7778
H5	2.5675	1.0877	2.8205	1.7778		1.7929
H6	2.5675	1.0877	2.8205	1.7778	1.7929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	105.846	Se1	C2	H5	110.425
Se1	C2	H6	110.425	C2	Se1	H3	95.108
H4	C2	H5	109.500	H4	C2	H6	109.500
H5	C2	H6	111.008

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

using model chemistry: B3LYP/6-311G**

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	-0.071
2	C	-0.391
3	H	0.042
4	H	0.135
5	H	0.142
6	H	0.142

	x	y	z	Total
	0.544	1.331	0.000	1.438
CHELPG
AIM
ESP

	x	y	z
x	5.014	-0.248	0.000
y	-0.248	6.408	0.000
z	0.000	0.000	3.946

<r²>	53.229
(<r²>)^1/2	7.296

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

using model chemistry: B3LYP/6-311G**

States and conformations

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