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	hartrees
Energy at 0K	-2437.142518
Energy at 298.15K	-2437.144508
Nuclear repulsion energy	101.565252

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3107	3061	1.39
2	A'	3006	2961	8.18
3	A'	2402	2366	10.15
4	A'	1410	1389	8.98
5	A'	1240	1221	2.33
6	A'	969	954	15.43
7	A'	713	702	0.29
8	A'	631	622	0.14
9	A"	3112	3066	0.80
10	A"	1399	1378	5.16
11	A"	875	862	8.45
12	A"	205	202	5.10

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.031	-0.414	0.000
C2	-0.031	1.499	0.000
H3	1.433	-0.544	0.000
H4	-1.087	1.805	0.000
H5	0.448	1.902	0.903
H6	0.448	1.902	-0.903

	Se1	C2	H3	H4	H5	H6
Se1		1.9130	1.4697	2.4569	2.5311	2.5311
C2	1.9130		2.5134	1.0997	1.0983	1.0983
H3	1.4697	2.5134		3.4448	2.7869	2.7869
H4	2.4569	1.0997	3.4448		1.7837	1.7837
H5	2.5311	1.0983	2.7869	1.7837		1.8052
H6	2.5311	1.0983	2.7869	1.7837	1.8052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.110	Se1	C2	H5	111.511
Se1	C2	H6	111.511	C2	Se1	H3	95.080
H4	C2	H5	108.492	H4	C2	H6	108.492
H5	C2	H6	110.540

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

using model chemistry: SVWN/6-31G(2df,p)

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	-0.173
2	C	-0.543
3	H	0.157
4	H	0.189
5	H	0.185
6	H	0.185

	x	y	z	Total
	0.466	1.362	0.000	1.440
CHELPG
AIM
ESP

	x	y	z
x	5.200	-0.209	0.000
y	-0.209	6.368	0.000
z	0.000	0.000	4.683

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: SVWN/6-31G(2df,p)

States and conformations

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