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	hartrees
Energy at 0K	-2430.472759
Energy at 298.15K	-2430.474737
Nuclear repulsion energy	98.994767

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	3064	4.10
2	A'	3094	2974	16.65
3	A'	2164	2080	71.64
4	A'	1534	1474	15.00
5	A'	1390	1336	3.72
6	A'	1039	998	32.38
7	A'	721	693	1.40
8	A'	603	580	0.10
9	A"	3193	3069	6.91
10	A"	1529	1470	12.42
11	A"	950	913	14.50
12	A"	172	166	8.68

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.032	-0.427	0.000
C2	-0.032	1.554	0.000
H3	1.460	-0.545	0.000
H4	-1.081	1.860	0.000
H5	0.455	1.939	0.897
H6	0.455	1.939	-0.897

	Se1	C2	H3	H4	H5	H6
Se1		1.9812	1.4971	2.5163	2.5772	2.5772
C2	1.9812		2.5757	1.0923	1.0911	1.0911
H3	1.4971	2.5757		3.4990	2.8266	2.8266
H4	2.5163	1.0923	3.4990		1.7800	1.7800
H5	2.5772	1.0911	2.8266	1.7800		1.7945
H6	2.5772	1.0911	2.8266	1.7800	1.7945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.282	Se1	C2	H5	110.676
Se1	C2	H6	110.676	C2	Se1	H3	94.526
H4	C2	H5	109.222	H4	C2	H6	109.222
H5	C2	H6	110.647

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

using model chemistry: B3PW91/3-21G

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	0.140
2	C	-0.916
3	H	0.014
4	H	0.256
5	H	0.253
6	H	0.253

	x	y	z	Total
	0.677	1.286	0.000	1.453
CHELPG
AIM
ESP

	x	y	z
x	4.360	-0.310	0.000
y	-0.310	5.333	0.000
z	0.000	0.000	2.533

<r²>	53.394
(<r²>)^1/2	7.307

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

using model chemistry: B3PW91/3-21G

States and conformations

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