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	hartrees
Energy at 0K	-2437.701327
Energy at 298.15K	-2437.703343
HF Energy	-2437.529112
Nuclear repulsion energy	98.087800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3048	8.58
2	A'	3075	2950	20.58
3	A'	2253	2161	77.36
4	A'	1532	1470	8.14
5	A'	1390	1333	7.07
6	A'	1047	1005	27.46
7	A'	755	725	1.92
8	A'	552	530	0.07
9	A"	3186	3057	11.37
10	A"	1526	1464	7.56
11	A"	927	890	9.13
12	A"	216	207	8.13

Atom	x (Å)	y (Å)	z (Å)
Se1	-0.032	-0.433	0.000
C2	-0.032	1.578	0.000
H3	1.449	-0.541	0.000
H4	-1.085	1.886	0.000
H5	0.462	1.947	0.904
H6	0.462	1.947	-0.904

	Se1	C2	H3	H4	H5	H6
Se1		2.0102	1.4853	2.5464	2.5933	2.5933
C2	2.0102		2.5850	1.0966	1.0950	1.0950
H3	1.4853	2.5850		3.5085	2.8252	2.8252
H4	2.5464	1.0966	3.5085		1.7927	1.7927
H5	2.5933	1.0950	2.8252	1.7927		1.8090
H6	2.5933	1.0950	2.8252	1.7927	1.8090

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	106.341	Se1	C2	H5	109.720
Se1	C2	H6	109.720	C2	Se1	H3	94.178
H4	C2	H5	109.771	H4	C2	H6	109.771
H5	C2	H6	111.389

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

using model chemistry: CCD/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: CCD/6-31G

States and conformations

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