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	hartrees
Energy at 0K	-4796.670200
Energy at 298.15K
HF Energy	-4796.670200
Nuclear repulsion energy	307.179551

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	2622	2374	10.05	173.74	0.09	0.16
2	A	867	785	0.77	12.76	0.40	0.57
3	A	410	371	6.22	5.70	0.75	0.86
4	A	339	307	0.04	13.82	0.22	0.36
5	B	2623	2375	15.91	107.60	0.75	0.86
6	B	870	788	12.83	4.51	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	1.134	-0.029
Se2	0.000	-1.134	-0.029
H3	1.011	1.335	0.992
H4	-1.011	-1.335	0.992

	Se1	Se2	H3	H4
Se1		2.2687	1.4513	2.8573
Se2	2.2687		2.8573	1.4513
H3	1.4513	2.8573		3.3497
H4	2.8573	1.4513	3.3497

Number	Element	Mulliken
1	Se	-0.186
2	Se	-0.186
3	H	0.186
4	H	0.186

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

using model chemistry: HF/6-31G(2df,p)

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
You are here: Calculated > Energy > Optimized > Energy

	x	y	z
x	6.049	0.456	0.000
y	0.456	9.667	0.000
z	0.000	0.000	6.020

<r²>	118.491
(<r²>)^1/2	10.885

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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