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	hartrees
Energy at 0K	-4804.386259
Energy at 298.15K
HF Energy	-4804.386259
Nuclear repulsion energy	294.667916

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	2371	2284	17.99	204.53	0.09	0.17
2	A	738	711	0.22	29.36	0.48	0.65
3	A	364	350	6.27	27.51	0.75	0.86
4	A	277	267	0.01	12.57	0.28	0.43
5	B	2372	2286	23.28	153.00	0.75	0.86
6	B	736	709	11.19	10.68	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	1.186	-0.030
Se2	0.000	-1.186	-0.030
H3	1.037	1.353	1.007
H4	-1.037	-1.353	1.007

	Se1	Se2	H3	H4
Se1		2.3723	1.4760	2.9324
Se2	2.3723		2.9324	1.4760
H3	1.4760	2.9324		3.4098
H4	2.9324	1.4760	3.4098

Number	Element	Mulliken
1	Se	-0.062
2	Se	-0.062
3	H	0.062
4	H	0.062

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

using model chemistry: B3LYPultrafine/TZVP

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	5.133	0.428	0.000
y	0.428	9.908	0.000
z	0.000	0.000	5.115

<r²>	126.940
(<r²>)^1/2	11.267

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

using model chemistry: B3LYPultrafine/TZVP

States and conformations

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