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	hartrees
Energy at 0K	-4800.306121
Energy at 298.15K
HF Energy	-4800.306121
Nuclear repulsion energy	300.822348

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	2326	2314	15.44	185.35	0.08	0.15
2	A	757	753	0.07	27.15	0.37	0.54
3	A	390	388	3.02	6.71	0.75	0.86
4	A	287	285	0.00	6.70	0.20	0.33
5	B	2330	2317	25.57	101.49	0.75	0.86
6	B	763	759	15.65	7.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	1.158	-0.030
Se2	0.000	-1.158	-0.030
H3	1.040	1.356	1.013
H4	-1.040	-1.356	1.013

	Se1	Se2	H3	H4
Se1		2.3162	1.4861	2.9140
Se2	2.3162		2.9140	1.4861
H3	1.4861	2.9140		3.4185
H4	2.9140	1.4861	3.4185

Number	Element	Mulliken
1	Se	-0.118
2	Se	-0.118
3	H	0.118
4	H	0.118

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

using model chemistry: BLYP/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	6.253	0.494	0.000
y	0.494	10.139	0.000
z	0.000	0.000	6.216

<r²>	122.193
(<r²>)^1/2	11.054

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

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

States and conformations

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