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	hartrees
Energy at 0K	-945.509893
Energy at 298.15K	-945.510843
Nuclear repulsion energy	110.566657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2638	2622	84.62
2	A₁	725	720	30.19
3	A₁	284	283	0.73
4	B₁	751	747	9.12
5	B₂	1048	1042	252.05
6	B₂	885	880	153.78

Atom	y (Å)	z (Å)
B1	0.000	0.711
H2	0.000	1.917
Cl3	1.524	-0.161
Cl4	-1.524	-0.161

	B1	H2	Cl3	Cl4
B1		1.2062	1.7560	1.7560
H2	1.2062		2.5769	2.5769
Cl3	1.7560	2.5769		3.0489
Cl4	1.7560	2.5769	3.0489

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	Cl3	119.755		H2	B1	Cl4	119.755
Cl3	B1	Cl4	120.491

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

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	B	0.021
2	H	0.028
3	Cl	-0.025
4	Cl	-0.025

	x	y	z	Total
	0.000	0.000	0.361	0.361
CHELPG
AIM
ESP

<r²>	105.402
(<r²>)^1/2	10.267

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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