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	hartrees
Energy at 0K	-2414.895547
Energy at 298.15K	-2414.897451
Nuclear repulsion energy	100.112650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3495	3119	0.24
2	A'	3310	2953	0.96
3	A'	2612	2331	10.41
4	A'	1681	1500	5.63
5	A'	1517	1354	6.20
6	A'	1126	1005	21.71
7	A'	828	739	2.60
8	A'	683	609	0.80
9	A"	3477	3103	2.25
10	A"	1675	1495	5.13
11	A"	1030	919	1.68
12	A"	137	122	12.55

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.032	-0.423	0.000
C2	-0.032	1.528	0.000
H3	1.429	-0.510	0.000
H4	-1.075	1.871	0.000
H5	0.465	1.931	0.895
H6	0.465	1.931	-0.895

	Se1	C2	H3	H4	H5	H6
Se1		1.9516	1.4639	2.5205	2.5675	2.5675
C2	1.9516		2.5081	1.0982	1.1000	1.1000
H3	1.4639	2.5081		3.4559	2.7734	2.7734
H4	2.5205	1.0982	3.4559		1.7823	1.7823
H5	2.5675	1.1000	2.7734	1.7823		1.7898
H6	2.5675	1.1000	2.7734	1.7823	1.7898

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	108.187	Se1	C2	H5	111.494
Se1	C2	H6	111.494	C2	Se1	H3	93.397
H4	C2	H5	108.341	H4	C2	H6	108.341
H5	C2	H6	108.883

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

using model chemistry: B3LYP/STO-3G

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	0.051
2	C	-0.301
3	H	-0.011
4	H	0.091
5	H	0.085
6	H	0.085

	x	y	z	Total
	0.891	1.080	0.000	1.400
CHELPG
AIM
ESP

	x	y	z
x	2.298	-0.305	0.000
y	-0.305	2.939	0.000
z	0.000	0.000	1.020

<r²>	51.484
(<r²>)^1/2	7.175

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

using model chemistry: B3LYP/STO-3G

States and conformations

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