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	hartrees
Energy at 0K	-1890.077268
Energy at 298.15K	-1890.076729
HF Energy	-1889.819606
Nuclear repulsion energy	420.506653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1152	1108	0.00
2	A₁	403	387	0.00
3	A₁	171	165	0.00
4	B₁	24	23	0.00
5	B₂	728	700	149.54
6	B₂	288	277	5.42
7	E	915	880	296.69
7	E	915	880	296.69
8	E	491	473	7.14
8	E	491	473	7.14
9	E	97	93	0.93
9	E	97	93	0.93

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.846
B2	0.000	0.000	-0.846
Cl3	0.000	1.521	1.734
Cl4	0.000	-1.521	1.734
Cl5	1.521	0.000	-1.734
Cl6	-1.521	0.000	-1.734

	B1	B2	Cl3	Cl4	Cl5	Cl6
B1		1.6921	1.7611	1.7611	2.9950	2.9950
B2	1.6921		2.9950	2.9950	1.7611	1.7611
Cl3	1.7611	2.9950		3.0418	4.0809	4.0809
Cl4	1.7611	2.9950	3.0418		4.0809	4.0809
Cl5	2.9950	1.7611	4.0809	4.0809		3.0418
Cl6	2.9950	1.7611	4.0809	4.0809	3.0418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	B2	Cl5	120.279	B1	B2	Cl6	120.279
B2	B1	Cl3	120.279	B2	B1	Cl4	120.279
Cl3	B1	Cl4	119.443	Cl5	B2	Cl6	119.443

All results from a given calculation for B₂Cl₄ (Diboron tetrachloride)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

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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HF vs MP2 Bad vib. Calc. vs exp. 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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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All results from a given calculation for B2Cl4 (Diboron tetrachloride)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for B₂Cl₄ (Diboron tetrachloride)