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	hartrees
Energy at 0K	-2442.037319
Energy at 298.15K	-2442.039214
Nuclear repulsion energy	98.196720

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3078	3070	10.93
2	A'	2991	2984	23.27
3	A'	2234	2228	32.97
4	A'	1462	1458	8.39
5	A'	1290	1287	13.22
6	A'	975	972	17.55
7	A'	687	685	0.13
8	A'	538	537	0.09
9	A"	3084	3077	9.61
10	A"	1454	1451	5.25
11	A"	892	890	10.51
12	A"	180	180	4.10

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.032	-0.431	0.000
C2	-0.032	1.572	0.000
H3	1.460	-0.551	0.000
H4	-1.086	1.872	0.000
H5	0.456	1.953	0.902
H6	0.456	1.953	-0.902

	Se1	C2	H3	H4	H5	H6
Se1		2.0037	1.4967	2.5328	2.5959	2.5959
C2	2.0037		2.5948	1.0956	1.0941	1.0941
H3	1.4967	2.5948		3.5142	2.8444	2.8444
H4	2.5328	1.0956	3.5142		1.7885	1.7885
H5	2.5959	1.0941	2.8444	1.7885		1.8037
H6	2.5959	1.0941	2.8444	1.7885	1.8037

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	105.865	Se1	C2	H5	110.382
Se1	C2	H6	110.382	C2	Se1	H3	94.573
H4	C2	H5	109.525	H4	C2	H6	109.525
H5	C2	H6	111.028

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

using model chemistry: BLYP/6-311G*

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	-0.103
2	C	-0.695
3	H	0.113
4	H	0.225
5	H	0.230
6	H	0.230

	x	y	z	Total
	0.477	1.303	0.000	1.387
CHELPG
AIM
ESP

	x	y	z
x	5.095	-0.243	0.000
y	-0.243	6.532	0.000
z	0.000	0.000	3.964

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/6-311G*

States and conformations

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