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	hartrees
Energy at 0K	-4800.002991
Energy at 298.15K
HF Energy	-4800.002991
Nuclear repulsion energy	297.365300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	2394	2308	16.78	191.96	0.10	0.18
2	A	753	726	0.01	26.00	0.44	0.61
3	A	373	359	7.00	0.69	0.73	0.84
4	A	296	285	0.02	11.95	0.21	0.34
5	B	2395	2310	22.06	132.89	0.75	0.86
6	B	754	727	14.50	7.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	1.175	-0.029
Se2	0.000	-1.175	-0.029
H3	1.034	1.345	0.999
H4	-1.034	-1.345	0.999

	Se1	Se2	H3	H4
Se1		2.3498	1.4679	2.9114
Se2	2.3498		2.9114	1.4679
H3	1.4679	2.9114		3.3928
H4	2.9114	1.4679	3.3928

Number	Element	Mulliken
1	Se	-0.115
2	Se	-0.115
3	H	0.115
4	H	0.115

All results from a given calculation for H₂Se₂ (hydrogen diselenide)

using model chemistry: B3LYP/6-31+G**

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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	x	y	z
x	6.134	0.395	0.000
y	0.395	10.075	0.000
z	0.000	0.000	6.106

<r²>	125.214
(<r²>)^1/2	11.190

All results from a given calculation for H2Se2 (hydrogen diselenide)

using model chemistry: B3LYP/6-31+G**

States and conformations

All results from a given calculation for H₂Se₂ (hydrogen diselenide)