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	hartrees
Energy at 0K	-676.581644
Energy at 298.15K
HF Energy	-676.581644
Nuclear repulsion energy	139.238231

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	1320	1168	239.65	1.26	0.09	0.16
2	A₁	709	627	44.98	3.17	0.09	0.17
3	A₁	433	383	1.53	1.75	0.57	0.73
4	B₁	572	506	32.88	0.47	0.75	0.86
5	B₂	1641	1452	167.76	0.13	0.75	0.86
6	B₂	351	310	6.59	1.87	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.482
Cl2	0.000	1.335
F3	1.148	-1.127
F4	-1.148	-1.127

	B1	Cl2	F3	F4
B1		1.8163	1.3166	1.3166
Cl2	1.8163		2.7157	2.7157
F3	1.3166	2.7157		2.2956
F4	1.3166	2.7157	2.2956

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	F3	119.328		Cl2	B1	F4	119.328
F3	B1	F4	121.345

All results from a given calculation for BClF₂ (Chlorodifluoroborane)

using model chemistry: B3PW91/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	0.413
2	Cl	-0.247
3	F	-0.083
4	F	-0.083

	x	y	z	Total
	0.000	0.000	-2.033	2.033
CHELPG
AIM
ESP

<r²>	93.768
(<r²>)^1/2	9.683

All results from a given calculation for BClF2 (Chlorodifluoroborane)

using model chemistry: B3PW91/STO-3G

States and conformations

All results from a given calculation for BClF₂ (Chlorodifluoroborane)