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	hartrees
Energy at 0K	-2439.889455
Energy at 298.15K	-2439.891319
Nuclear repulsion energy	98.841973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3086	3070	7.68
2	A'	2995	2979	22.50
3	A'	2272	2260	34.58
4	A'	1454	1447	8.05
5	A'	1296	1289	14.41
6	A'	997	991	18.84
7	A'	709	706	0.29
8	A'	546	543	0.03
9	A"	3091	3075	4.28
10	A"	1443	1436	4.21
11	A"	911	906	8.92
12	A"	145	145	5.65

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.032	-0.428	0.000
C2	-0.032	1.560	0.000
H3	1.440	-0.568	0.000
H4	-1.089	1.857	0.000
H5	0.455	1.948	0.903
H6	0.455	1.948	-0.903

	Se1	C2	H3	H4	H5	H6
Se1		1.9878	1.4778	2.5174	2.5882	2.5882
C2	1.9878		2.5867	1.0987	1.0973	1.0973
H3	1.4778	2.5867		3.5032	2.8485	2.8485
H4	2.5174	1.0987	3.5032		1.7920	1.7920
H5	2.5882	1.0973	2.8485	1.7920		1.8069
H6	2.5882	1.0973	2.8485	1.7920	1.8069

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	105.654	Se1	C2	H5	110.715
Se1	C2	H6	110.715	C2	Se1	H3	95.427
H4	C2	H5	109.385	H4	C2	H6	109.385
H5	C2	H6	110.844

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

using model chemistry: BLYP/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	-0.120
2	C	-0.491
3	H	0.092
4	H	0.168
5	H	0.175
6	H	0.175

	x	y	z	Total
	0.555	1.401	0.000	1.507
CHELPG
AIM
ESP

	x	y	z
x	5.062	-0.200	0.000
y	-0.200	6.944	0.000
z	0.000	0.000	5.386

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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