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	hartrees
Energy at 0K	-681.203582
Energy at 298.15K
HF Energy	-681.203582
Nuclear repulsion energy	140.368504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	1306	1255	420.37	0.65	0.14	0.25
2	A₁	702	674	42.10	4.56	0.09	0.17
3	A₁	426	409	6.30	1.88	0.55	0.71
4	B₁	596	572	54.96	1.22	0.75	0.86
5	B₂	1536	1475	228.85	0.00	0.75	0.86
6	B₂	351	337	5.25	2.28	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.422
Cl2	0.000	1.312
F3	1.145	-1.122
F4	-1.145	-1.122

	B1	Cl2	F3	F4
B1		1.7336	1.3418	1.3418
Cl2	1.7336		2.6897	2.6897
F3	1.3418	2.6897		2.2891
F4	1.3418	2.6897	2.2891

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	F3	121.465		Cl2	B1	F4	121.465
F3	B1	F4	117.070

All results from a given calculation for BClF₂ (Chlorodifluoroborane)

using model chemistry: PBE1PBE/3-21G

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	0.729
2	Cl	-0.241
3	F	-0.244
4	F	-0.244

	x	y	z	Total
	0.000	0.000	0.186	0.186
CHELPG
AIM
ESP

<r²>	94.087
(<r²>)^1/2	9.700

All results from a given calculation for BClF2 (Chlorodifluoroborane)

using model chemistry: PBE1PBE/3-21G

States and conformations

All results from a given calculation for BClF₂ (Chlorodifluoroborane)