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	hartrees
Energy at 0K	-2440.100827
Energy at 298.15K	-2440.102925
Nuclear repulsion energy	100.656201

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3284	2984	8.25
2	A'	3198	2905	27.62
3	A'	2569	2334	23.41
4	A'	1601	1455	6.56
5	A'	1443	1311	14.20
6	A'	1095	995	17.41
7	A'	766	696	1.00
8	A'	635	577	0.46
9	A"	3294	2993	5.82
10	A"	1588	1442	4.30
11	A"	998	907	4.94
12	A"	210	191	4.73

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.031	-0.419	0.000
C2	-0.031	1.532	0.000
H3	1.413	-0.590	0.000
H4	-1.067	1.834	0.000
H5	0.452	1.908	0.886
H6	0.452	1.908	-0.886

	Se1	C2	H3	H4	H5	H6
Se1		1.9509	1.4538	2.4795	2.5364	2.5364
C2	1.9509		2.5664	1.0790	1.0771	1.0771
H3	1.4538	2.5664		3.4674	2.8191	2.8191
H4	2.4795	1.0790	3.4674		1.7602	1.7602
H5	2.5364	1.0771	2.8191	1.7602		1.7723
H6	2.5364	1.0771	2.8191	1.7602	1.7723

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.247	Se1	C2	H5	110.434
Se1	C2	H6	110.434	C2	Se1	H3	96.751
H4	C2	H5	109.449	H4	C2	H6	109.449
H5	C2	H6	110.720

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

using model chemistry: HF/aug-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	0.041
2	C	-0.851
3	H	0.020
4	H	0.267
5	H	0.262
6	H	0.262

	x	y	z	Total
	0.560	1.495	0.000	1.597
CHELPG
AIM
ESP

	x	y	z
x	5.739	-0.211	0.000
y	-0.211	7.345	0.000
z	0.000	0.000	5.712

<r²>	52.446
(<r²>)^1/2	7.242

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

using model chemistry: HF/aug-cc-pVQZ

States and conformations

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