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	hartrees
Energy at 0K	-4803.673024
Energy at 298.15K
HF Energy	-4803.673024
Nuclear repulsion energy	298.862113

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	2409	2311	11.16	208.66	0.09	0.16
2	A	755	725	0.04	30.31	0.48	0.65
3	A	379	363	7.10	19.62	0.75	0.86
4	A	299	287	0.01	10.72	0.25	0.40
5	B	2410	2312	15.02	142.84	0.75	0.86
6	B	752	721	12.55	11.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	1.168	-0.029
Se2	0.000	-1.168	-0.029
H3	1.039	1.333	1.002
H4	-1.039	-1.333	1.002

	Se1	Se2	H3	H4
Se1		2.3361	1.4731	2.8983
Se2	2.3361		2.8983	1.4731
H3	1.4731	2.8983		3.3809
H4	2.8983	1.4731	3.3809

Number	Element	Mulliken
1	Se	-0.089
2	Se	-0.089
3	H	0.089
4	H	0.089

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

using model chemistry: PBE1PBE/6-311G**

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	5.326	0.464	0.000
y	0.464	9.722	0.000
z	0.000	0.000	5.282

<r²>	123.764
(<r²>)^1/2	11.125

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

using model chemistry: PBE1PBE/6-311G**

States and conformations

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