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	hartrees
Energy at 0K	-676.739556
Energy at 298.15K
HF Energy	-676.739556
Nuclear repulsion energy	138.896264

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	1306	232.62	1.29	0.10	0.18
2	A₁	701	701	45.19	3.35	0.10	0.17
3	A₁	427	427	1.31	1.82	0.57	0.73
4	B₁	562	562	28.10	0.49	0.75	0.86
5	B₂	1629	1629	158.55	0.18	0.75	0.86
6	B₂	346	346	6.30	1.92	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.483
Cl2	0.000	1.337
F3	1.151	-1.129
F4	-1.151	-1.129

	B1	Cl2	F3	F4
B1		1.8204	1.3201	1.3201
Cl2	1.8204		2.7217	2.7217
F3	1.3201	2.7217		2.3027
F4	1.3201	2.7217	2.3027

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	F3	119.287		Cl2	B1	F4	119.287
F3	B1	F4	121.426

All results from a given calculation for BClF₂ (Chlorodifluoroborane)

using model chemistry: TPSSh/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	0.398
2	Cl	-0.247
3	F	-0.076
4	F	-0.076

	x	y	z	Total
	0.000	0.000	-2.087	2.087
CHELPG
AIM
ESP

<r²>	94.097
(<r²>)^1/2	9.700

All results from a given calculation for BClF2 (Chlorodifluoroborane)

using model chemistry: TPSSh/STO-3G

States and conformations

All results from a given calculation for BClF₂ (Chlorodifluoroborane)