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	hartrees
Energy at 0K	-225.102243
Energy at 298.15K	-225.103500
Nuclear repulsion energy	61.349492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2622	2604	94.33
2	A₁	1140	1133	98.22
3	A₁	522	518	18.27
4	B₁	893	887	55.17
5	B₂	1387	1377	342.17
6	B₂	1057	1050	0.13

Atom	y (Å)	z (Å)
B1	0.000	0.460
H2	0.000	1.658
F3	1.137	-0.220
F4	-1.137	-0.220

	B1	H2	F3	F4
B1		1.1975	1.3248	1.3248
H2	1.1975		2.1950	2.1950
F3	1.3248	2.1950		2.2739
F4	1.3248	2.1950	2.2739

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	B1	F3	120.885		H2	B1	F4	120.885
F3	B1	F4	118.229

All results from a given calculation for BHF₂ (Difluoroborane)

using model chemistry: PBEPBE/cc-pVTZ

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	0.347
2	H	-0.040
3	F	-0.153
4	F	-0.153

	x	y	z	Total
	0.000	0.000	0.751	0.751
CHELPG
AIM
ESP

<r²>	38.101
(<r²>)^1/2	6.173

All results from a given calculation for BHF2 (Difluoroborane)

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

All results from a given calculation for BHF₂ (Difluoroborane)