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	hartrees
Energy at 0K	-2439.622631
Energy at 298.15K	-2439.624605
Nuclear repulsion energy	98.962403

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	3085	4.86
2	A'	3105	2973	18.85
3	A'	2281	2184	77.64
4	A'	1521	1457	13.08
5	A'	1367	1309	4.36
6	A'	1049	1005	31.46
7	A'	764	732	0.96
8	A'	564	540	0.48
9	A"	3229	3092	7.24
10	A"	1520	1456	11.82
11	A"	923	884	13.94
12	A"	181	174	10.07

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.032	-0.428	0.000
C2	-0.032	1.562	0.000
H3	1.442	-0.538	0.000
H4	-1.079	1.864	0.000
H5	0.457	1.929	0.901
H6	0.457	1.929	-0.901

	Se1	C2	H3	H4	H5	H6
Se1		1.9897	1.4782	2.5203	2.5704	2.5704
C2	1.9897		2.5651	1.0904	1.0890	1.0890
H3	1.4782	2.5651		3.4825	2.8047	2.8047
H4	2.5203	1.0904	3.4825		1.7825	1.7825
H5	2.5704	1.0890	2.8047	1.7825		1.8017
H6	2.5704	1.0890	2.8047	1.7825	1.8017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.112	Se1	C2	H5	109.722
Se1	C2	H6	109.722	C2	Se1	H3	94.249
H4	C2	H5	109.749	H4	C2	H6	109.749
H5	C2	H6	111.635

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

using model chemistry: B3PW91/6-31G

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	0.078
2	C	-0.751
3	H	0.027
4	H	0.217
5	H	0.214
6	H	0.214

	x	y	z	Total
	0.787	1.478	0.000	1.674
CHELPG
AIM
ESP

	x	y	z
x	4.486	-0.293	0.000
y	-0.293	5.597	0.000
z	0.000	0.000	2.687

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3PW91/6-31G

States and conformations

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