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	hartrees
Energy at 0K	-2439.886946
Energy at 298.15K	-2439.888939
HF Energy	-2439.886946
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3042	5.88
2	A'	3109	2949	18.38
3	A'	2427	2302	31.18
4	A'	1528	1450	8.40
5	A'	1361	1291	8.19
6	A'	1032	979	19.82
7	A'	744	705	0.29
8	A'	606	575	0.09
9	A"	3224	3058	5.04
10	A"	1513	1435	5.17
11	A"	931	883	8.88
12	A"	188	178	6.08

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.032	-0.421	0.000
C2	-0.032	1.531	0.000
H3	1.446	-0.537	0.000
H4	-1.081	1.832	0.000
H5	0.454	1.909	0.899
H6	0.454	1.909	-0.899

	Se1	C2	H3	H4	H5	H6
Se1		1.9512	1.4823	2.4846	2.5443	2.5443
C2	1.9512		2.5414	1.0913	1.0899	1.0899
H3	1.4823	2.5414		3.4634	2.7888	2.7888
H4	2.4846	1.0913	3.4634		1.7804	1.7804
H5	2.5443	1.0899	2.7888	1.7804		1.7984
H6	2.5443	1.0899	2.7888	1.7804	1.7984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.016	Se1	C2	H5	110.334
Se1	C2	H6	110.334	C2	Se1	H3	94.506
H4	C2	H5	109.420	H4	C2	H6	109.420
H5	C2	H6	111.178

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

using model chemistry: wB97X-D/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	-0.163
2	C	-0.579
3	H	0.131
4	H	0.202
5	H	0.205
6	H	0.205

	x	y	z	Total
	0.574	1.387	0.000	1.501
CHELPG
AIM
ESP

	x	y	z
x	4.704	-0.249	0.000
y	-0.249	5.776	0.000
z	0.000	0.000	3.863

<r²>	52.216
(<r²>)^1/2	7.226

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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