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	hartrees
Energy at 0K	-2439.850633
Energy at 298.15K	-2439.852615
Nuclear repulsion energy	100.008031

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3057	5.14
2	A'	3095	2961	17.86
3	A'	2387	2284	30.51
4	A'	1511	1446	8.26
5	A'	1342	1284	9.76
6	A'	1023	979	19.74
7	A'	739	707	0.19
8	A'	587	561	0.16
9	A"	3205	3066	4.80
10	A"	1503	1438	4.90
11	A"	918	879	9.52
12	A"	194	185	5.79

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.032	-0.421	0.000
C2	-0.032	1.535	0.000
H3	1.448	-0.550	0.000
H4	-1.081	1.838	0.000
H5	0.454	1.914	0.900
H6	0.454	1.914	-0.900

	Se1	C2	H3	H4	H5	H6
Se1		1.9569	1.4850	2.4908	2.5498	2.5498
C2	1.9569		2.5566	1.0919	1.0903	1.0903
H3	1.4850	2.5566		3.4775	2.8052	2.8052
H4	2.4908	1.0919	3.4775		1.7806	1.7806
H5	2.5498	1.0903	2.8052	1.7806		1.7994
H6	2.5498	1.0903	2.8052	1.7806	1.7994

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.067	Se1	C2	H5	110.343
Se1	C2	H6	110.343	C2	Se1	H3	94.948
H4	C2	H5	109.367	H4	C2	H6	109.367
H5	C2	H6	111.214

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	-0.160
2	C	-0.593
3	H	0.131
4	H	0.206
5	H	0.208
6	H	0.208

	x	y	z	Total
	0.564	1.394	0.000	1.504
CHELPG
AIM
ESP

	x	y	z
x	4.696	-0.245	0.000
y	-0.245	5.800	0.000
z	0.000	0.000	3.868

<r²>	52.352
(<r²>)^1/2	7.235

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)