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	hartrees
Energy at 0K	-2439.124668
Energy at 298.15K	-2439.126589
Nuclear repulsion energy	100.229925

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3112	3089	1.57
2	A'	3003	2980	10.35
3	A'	2334	2316	10.02
4	A'	1368	1357	9.18
5	A'	1218	1208	2.74
6	A'	951	943	12.63
7	A'	687	682	0.12
8	A'	594	589	0.00
9	A"	3118	3094	0.27
10	A"	1358	1348	5.62
11	A"	864	858	7.83
12	A"	184	182	4.68

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.032	-0.420	0.000
C2	-0.032	1.525	0.000
H3	1.447	-0.547	0.000
H4	-1.093	1.828	0.000
H5	0.454	1.919	0.909
H6	0.454	1.919	-0.909

	Se1	C2	H3	H4	H5	H6
Se1		1.9451	1.4838	2.4863	2.5560	2.5560
C2	1.9451		2.5457	1.1043	1.1029	1.1029
H3	1.4838	2.5457		3.4779	2.8101	2.8101
H4	2.4863	1.1043	3.4779		1.7965	1.7965
H5	2.5560	1.1029	2.8101	1.7965		1.8173
H6	2.5560	1.1029	2.8101	1.7965	1.8173

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	105.923	Se1	C2	H5	110.939
Se1	C2	H6	110.939	C2	Se1	H3	94.927
H4	C2	H5	108.962	H4	C2	H6	108.962
H5	C2	H6	110.954

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

using model chemistry: SVWN/aug-cc-pVDZ

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	0.230
2	C	0.404
3	H	0.027
4	H	-0.245
5	H	-0.208
6	H	-0.208

	x	y	z	Total
	0.494	1.340	0.000	1.428
CHELPG
AIM
ESP

	x	y	z
x	6.046	-0.209	0.000
y	-0.209	7.656	0.000
z	0.000	0.000	6.015

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: SVWN/aug-cc-pVDZ

States and conformations

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