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	hartrees
Energy at 0K	-944.375400
Energy at 298.15K	-944.376444
HF Energy	-944.375400
Nuclear repulsion energy	111.304020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2810	2547	95.16
2	A₁	756	685	42.33
3	A₁	304	276	1.31
4	B₁	847	768	22.78
5	B₂	1177	1067	247.27
6	B₂	926	840	259.73

Atom	y (Å)	z (Å)
B1	0.000	0.703
H2	0.000	1.879
Cl3	1.517	-0.159
Cl4	-1.517	-0.159

	B1	H2	Cl3	Cl4
B1		1.1755	1.7447	1.7447
H2	1.1755		2.5401	2.5401
Cl3	1.7447	2.5401		3.0339
Cl4	1.7447	2.5401	3.0339

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	Cl3	119.602		H2	B1	Cl4	119.602
Cl3	B1	Cl4	120.796

All results from a given calculation for BHCl₂ (Borane, dichloro-)

using model chemistry: HF/Def2TZVPP

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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Number	Element	Mulliken
1	B	0.303
2	H	-0.013
3	Cl	-0.145
4	Cl	-0.145

	x	y	z	Total
	0.000	0.000	0.763	0.763
CHELPG
AIM
ESP

<r²>	104.874
(<r²>)^1/2	10.241

All results from a given calculation for BHCl2 (Borane, dichloro-)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for BHCl₂ (Borane, dichloro-)