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	hartrees
Energy at 0K	-2439.912266
Energy at 298.15K	-2439.914187
Nuclear repulsion energy	99.915773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3166	3053	6.05
2	A'	3072	2962	21.63
3	A'	2391	2305	30.38
4	A'	1493	1439	8.42
5	A'	1339	1291	12.04
6	A'	1031	994	20.44
7	A'	736	709	0.54
8	A'	578	558	0.04
9	A"	3173	3059	3.49
10	A"	1481	1428	4.74
11	A"	942	908	8.62
12	A"	149	144	6.58

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.031	-0.423	0.000
C2	-0.031	1.541	0.000
H3	1.425	-0.569	0.000
H4	-1.081	1.840	0.000
H5	0.453	1.927	0.897
H6	0.453	1.927	-0.897

	Se1	C2	H3	H4	H5	H6
Se1		1.9637	1.4636	2.4946	2.5617	2.5617
C2	1.9637		2.5639	1.0916	1.0902	1.0902
H3	1.4636	2.5639		3.4765	2.8254	2.8254
H4	2.4946	1.0916	3.4765		1.7792	1.7792
H5	2.5617	1.0902	2.8254	1.7792		1.7941
H6	2.5617	1.0902	2.8254	1.7792	1.7941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	105.909	Se1	C2	H5	110.763
Se1	C2	H6	110.763	C2	Se1	H3	95.744
H4	C2	H5	109.265	H4	C2	H6	109.265
H5	C2	H6	110.742

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

using model chemistry: B3LYP/6-31+G**

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	-0.134
2	C	-0.486
3	H	0.098
4	H	0.170
5	H	0.177
6	H	0.177

	x	y	z	Total
	0.602	1.437	0.000	1.558
CHELPG
AIM
ESP

	x	y	z
x	4.921	-0.206	0.000
y	-0.206	6.635	0.000
z	0.000	0.000	5.098

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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