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	hartrees
Energy at 0K	-2442.082973
Energy at 298.15K	-2442.084926
HF Energy	-2442.082973
Nuclear repulsion energy	100.164222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3178	3040	6.18
2	A'	3082	2948	19.58
3	A'	2424	2318	24.54
4	A'	1492	1427	8.89
5	A'	1332	1274	8.12
6	A'	1014	969	19.58
7	A'	726	694	0.34
8	A'	609	583	0.01
9	A"	3191	3052	5.38
10	A"	1475	1410	6.26
11	A"	929	889	9.71
12	A"	159	153	6.28

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.031	-0.422	0.000
C2	-0.031	1.537	0.000
H3	1.428	-0.548	0.000
H4	-1.078	1.837	0.000
H5	0.453	1.919	0.896
H6	0.453	1.919	-0.896

	Se1	C2	H3	H4	H5	H6
Se1		1.9587	1.4653	2.4900	2.5531	2.5531
C2	1.9587		2.5454	1.0893	1.0879	1.0879
H3	1.4653	2.5454		3.4606	2.8007	2.8007
H4	2.4900	1.0893	3.4606		1.7760	1.7760
H5	2.5531	1.0879	2.8007	1.7760		1.7921
H6	2.5531	1.0879	2.8007	1.7760	1.7921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.012	Se1	C2	H5	110.581
Se1	C2	H6	110.581	C2	Se1	H3	94.949
H4	C2	H5	109.318	H4	C2	H6	109.318
H5	C2	H6	110.899

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

using model chemistry: wB97X-D/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	-0.080
2	C	-0.422
3	H	0.052
4	H	0.146
5	H	0.152
6	H	0.152

	x	y	z	Total
	0.587	1.344	0.000	1.467
CHELPG
AIM
ESP

	x	y	z
x	4.979	-0.244	0.000
y	-0.244	6.276	0.000
z	0.000	0.000	3.949

<r²>	52.551
(<r²>)^1/2	7.249

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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