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	hartrees
Energy at 0K	-684.918832
Energy at 298.15K
HF Energy	-684.918832
Nuclear repulsion energy	140.740711

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	1226	1192	478.24	0.81	0.37	0.53
2	A₁	685	666	30.59	4.37	0.09	0.17
3	A₁	418	406	6.33	1.55	0.55	0.71
4	B₁	586	570	43.64	1.18	0.75	0.86
5	B₂	1420	1381	304.02	0.05	0.75	0.86
6	B₂	335	326	2.92	1.72	0.75	0.86

Atom	y (Å)	z (Å)
B1	0.000	-0.441
Cl2	0.000	1.309
F3	1.144	-1.114
F4	-1.144	-1.114

	B1	Cl2	F3	F4
B1		1.7508	1.3270	1.3270
Cl2	1.7508		2.6798	2.6798
F3	1.3270	2.6798		2.2879
F4	1.3270	2.6798	2.2879

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	B1	F3	120.453		Cl2	B1	F4	120.453
F3	B1	F4	119.094

All results from a given calculation for BClF₂ (Chlorodifluoroborane)

using model chemistry: TPSSh/cc-pVDZ

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	0.267
2	Cl	-0.107
3	F	-0.080
4	F	-0.080

	x	y	z	Total
	0.000	0.000	0.105	0.105
CHELPG
AIM
ESP

<r²>	93.260
(<r²>)^1/2	9.657

All results from a given calculation for BClF2 (Chlorodifluoroborane)

using model chemistry: TPSSh/cc-pVDZ

States and conformations

All results from a given calculation for BClF₂ (Chlorodifluoroborane)