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	hartrees
Energy at 0K	-676.686007
Energy at 298.15K
HF Energy	-676.686007
Nuclear repulsion energy	139.560499

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	1333	1171	245.54	1.23	0.08	0.16
2	A₁	716	630	45.10	3.06	0.09	0.17
3	A₁	436	384	1.77	1.71	0.58	0.73
4	B₁	578	508	35.58	0.46	0.75	0.86
5	B₂	1653	1453	174.31	0.10	0.75	0.86
6	B₂	353	310	6.81	1.83	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.480
Cl2	0.000	1.331
F3	1.145	-1.124
F4	-1.145	-1.124

	B1	Cl2	F3	F4
B1		1.8119	1.3136	1.3136
Cl2	1.8119		2.7095	2.7095
F3	1.3136	2.7095		2.2902
F4	1.3136	2.7095	2.2902

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	F3	119.342		Cl2	B1	F4	119.342
F3	B1	F4	121.316

All results from a given calculation for BClF₂ (Chlorodifluoroborane)

using model chemistry: mPW1PW91/STO-3G

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	0.427
2	Cl	-0.247
3	F	-0.090
4	F	-0.090

	x	y	z	Total
	0.000	0.000	-2.007	2.007
CHELPG
AIM
ESP

<r²>	93.431
(<r²>)^1/2	9.666

All results from a given calculation for BClF2 (Chlorodifluoroborane)

using model chemistry: mPW1PW91/STO-3G

States and conformations

All results from a given calculation for BClF₂ (Chlorodifluoroborane)