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	hartrees
Energy at 0K	-2402.399923
Energy at 298.15K	-2402.399331
HF Energy	-2402.320097
Nuclear repulsion energy	24.859964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2455	2359	7.68
2	A₁	1072	1030	3.42
3	B₂	2471	2375	6.99

Atom	y (Å)	z (Å)
Se1	0.000	0.057
H2	1.045	-0.965
H3	-1.045	-0.965

	Se1	H2	H3
Se1		1.4614	1.4614
H2	1.4614		2.0892
H3	1.4614	2.0892

Number	Element	Mulliken
1	Se	0.185
2	H	-0.093
3	H	-0.093

All results from a given calculation for H₂Se (Hydrogen selenide)

using model chemistry: B2PLYP/aug-cc-pVTZ

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z
x	4.722	-0.000	0.000
y	-0.000	4.582	0.000
z	0.000	0.000	4.571

<r²>	16.458
(<r²>)^1/2	4.057

All results from a given calculation for H2Se (Hydrogen selenide)

using model chemistry: B2PLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂Se (Hydrogen selenide)