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	hartrees
Energy at 0K	-684.633709
Energy at 298.15K
HF Energy	-684.393099
Nuclear repulsion energy	142.192387

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	1258	1258	448.10	0.51	0.30	0.46
2	A₁	699	699	44.74	5.03	0.06	0.11
3	A₁	431	431	5.78	1.33	0.42	0.59
4	B₁	616	616	47.49	0.85	0.75	0.86
5	B₂	1490	1490	281.36	0.08	0.75	0.86
6	B₂	343	343	2.92	1.20	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.448
Cl2	0.000	1.302
F3	1.126	-1.105
F4	-1.126	-1.105

	B1	Cl2	F3	F4
B1		1.7500	1.3039	1.3039
Cl2	1.7500		2.6575	2.6575
F3	1.3039	2.6575		2.2524
F4	1.3039	2.6575	2.2524

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	F3	120.263		Cl2	B1	F4	120.263
F3	B1	F4	119.474

All results from a given calculation for BClF₂ (Chlorodifluoroborane)

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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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All results from a given calculation for BClF2 (Chlorodifluoroborane)

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for BClF₂ (Chlorodifluoroborane)