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	hartrees
Energy at 0K	-2439.877238
Energy at 298.15K	-2439.879159
Nuclear repulsion energy	100.544957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3181	3055	4.66
2	A'	3080	2957	20.33
3	A'	2427	2330	26.47
4	A'	1488	1428	9.16
5	A'	1339	1285	8.62
6	A'	1033	992	21.37
7	A'	744	714	0.53
8	A'	598	575	0.01
9	A"	3187	3060	2.83
10	A"	1475	1417	5.27
11	A"	945	907	9.19
12	A"	140	134	7.48

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.031	-0.419	0.000
C2	-0.031	1.527	0.000
H3	1.422	-0.566	0.000
H4	-1.081	1.828	0.000
H5	0.451	1.918	0.897
H6	0.451	1.918	-0.897

	Se1	C2	H3	H4	H5	H6
Se1		1.9466	1.4600	2.4807	2.5492	2.5492
C2	1.9466		2.5481	1.0918	1.0904	1.0904
H3	1.4600	2.5481		3.4634	2.8135	2.8135
H4	2.4807	1.0918	3.4634		1.7772	1.7772
H5	2.5492	1.0904	2.8135	1.7772		1.7932
H6	2.5492	1.0904	2.8135	1.7772	1.7932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.014	Se1	C2	H5	110.984
Se1	C2	H6	110.984	C2	Se1	H3	95.774
H4	C2	H5	109.049	H4	C2	H6	109.049
H5	C2	H6	110.623

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

using model chemistry: B3PW91/6-31+G**

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	-0.153
2	C	-0.528
3	H	0.112
4	H	0.186
5	H	0.191
6	H	0.191

	x	y	z	Total
	0.633	1.461	0.000	1.592
CHELPG
AIM
ESP

	x	y	z
x	4.876	-0.205	0.000
y	-0.205	6.445	0.000
z	0.000	0.000	4.956

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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