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	hartrees
Energy at 0K	-2439.633466
Energy at 298.15K	-2439.635394
Nuclear repulsion energy	97.234085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3128	3104	9.48
2	A'	3022	2999	20.47
3	A'	2173	2157	88.03
4	A'	1486	1474	9.55
5	A'	1315	1305	10.37
6	A'	1005	997	25.72
7	A'	727	722	0.50
8	A'	517	514	0.80
9	A"	3136	3112	12.31
10	A"	1484	1473	8.15
11	A"	882	875	12.07
12	A"	197	196	6.93

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.032	-0.437	0.000
C2	-0.032	1.596	0.000
H3	1.462	-0.535	0.000
H4	-1.089	1.893	0.000
H5	0.462	1.960	0.908
H6	0.462	1.960	-0.908

	Se1	C2	H3	H4	H5	H6
Se1		2.0332	1.4975	2.5587	2.6103	2.6103
C2	2.0332		2.6033	1.0976	1.0960	1.0960
H3	1.4975	2.6033		3.5223	2.8374	2.8374
H4	2.5587	1.0976	3.5223		1.7986	1.7986
H5	2.6103	1.0960	2.8374	1.7986		1.8163
H6	2.6103	1.0960	2.8374	1.7986	1.8163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	105.705	Se1	C2	H5	109.370
Se1	C2	H6	109.370	C2	Se1	H3	93.772
H4	C2	H5	110.151	H4	C2	H6	110.151
H5	C2	H6	111.900

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

using model chemistry: BLYP/6-31G

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	0.068
2	C	-0.604
3	H	0.011
4	H	0.175
5	H	0.175
6	H	0.175

	x	y	z	Total
	0.666	1.386	0.000	1.538
CHELPG
AIM
ESP

	x	y	z
x	4.553	-0.275	0.000
y	-0.275	5.801	0.000
z	0.000	0.000	2.711

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/6-31G

States and conformations

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