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	hartrees
Energy at 0K	-681.375470
Energy at 298.15K
HF Energy	-681.375470
Nuclear repulsion energy	137.892469

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	1215	1194	361.69	1.22	0.19	0.32
2	A₁	634	623	55.34	5.77	0.11	0.20
3	A₁	403	396	2.03	2.84	0.50	0.66
4	B₁	568	558	48.87	2.83	0.75	0.86
5	B₂	1487	1462	225.59	0.03	0.75	0.86
6	B₂	334	329	6.60	3.40	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.448
Cl2	0.000	1.343
F3	1.158	-1.144
F4	-1.158	-1.144

	B1	Cl2	F3	F4
B1		1.7912	1.3510	1.3510
Cl2	1.7912		2.7435	2.7435
F3	1.3510	2.7435		2.3160
F4	1.3510	2.7435	2.3160

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	F3	121.005		Cl2	B1	F4	121.005
F3	B1	F4	117.990

All results from a given calculation for BClF₂ (Chlorodifluoroborane)

using model chemistry: B97D3/3-21G

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	0.622
2	Cl	-0.183
3	F	-0.219
4	F	-0.219

	x	y	z	Total
	0.000	0.000	-0.449	0.449
CHELPG
AIM
ESP

<r²>	97.243
(<r²>)^1/2	9.861

All results from a given calculation for BClF2 (Chlorodifluoroborane)

using model chemistry: B97D3/3-21G

States and conformations

All results from a given calculation for BClF₂ (Chlorodifluoroborane)