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	hartrees
Energy at 0K	-2437.702685
Energy at 298.15K	-2437.704686
HF Energy	-2437.528963
Nuclear repulsion energy	97.891073

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3166	3051	8.55
2	A'	3064	2953	21.62
3	A'	2236	2154	79.79
4	A'	1528	1472	7.94
5	A'	1380	1330	9.61
6	A'	1042	1004	27.35
7	A'	750	723	1.92
8	A'	541	521	0.31
9	A"	3175	3060	11.28
10	A"	1522	1467	7.36
11	A"	923	889	9.01
12	A"	214	206	7.94

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.032	-0.434	0.000
C2	-0.032	1.582	0.000
H3	1.451	-0.541	0.000
H4	-1.085	1.889	0.000
H5	0.463	1.949	0.905
H6	0.463	1.949	-0.905

	Se1	C2	H3	H4	H5	H6
Se1		2.0158	1.4869	2.5501	2.5968	2.5968
C2	2.0158		2.5897	1.0969	1.0953	1.0953
H3	1.4869	2.5897		3.5122	2.8279	2.8279
H4	2.5501	1.0969	3.5122		1.7946	1.7946
H5	2.5968	1.0953	2.8279	1.7946		1.8108
H6	2.5968	1.0953	2.8279	1.7946	1.8108

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.234	Se1	C2	H5	109.588
Se1	C2	H6	109.588	C2	Se1	H3	94.135
H4	C2	H5	109.893	H4	C2	H6	109.893
H5	C2	H6	111.504

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

using model chemistry: QCISD/6-31G

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

using model chemistry: QCISD/6-31G

States and conformations

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