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	hartrees
Energy at 0K	-759.678283
Energy at 298.15K	-759.679796
HF Energy	-759.678283
Nuclear repulsion energy	193.727112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	751	751	51.19
2	A₁	524	524	4.64
3	A₁	311	311	11.84
4	B₁	331	331	16.20
5	B₂	693	693	506.79
6	B₂	416	416	0.07

Atom	y (Å)	z (Å)
Cl1	0.000	0.356
F2	0.000	-1.260
F3	1.719	0.294
F4	-1.719	0.294

	Cl1	F2	F3	F4
Cl1		1.6163	1.7197	1.7197
F2	1.6163		2.3169	2.3169
F3	1.7197	2.3169		3.4371
F4	1.7197	2.3169	3.4371

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	F3	87.922		F2	Cl1	F4	87.922
F3	Cl1	F4	175.844

All results from a given calculation for ClF₃ (Chlorine trifluoride)

using model chemistry: B3LYP/aug-cc-pV(T+d)Z

States and conformations

Conformer 1 (D3H)

Conformer 2 (C2V)

	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	Cl	1.102
2	F	-0.279
3	F	-0.411
4	F	-0.411

	x	y	z	Total
	0.000	0.000	0.623	0.623
CHELPG
AIM
ESP

<r²>	88.984
(<r²>)^1/2	9.433

All results from a given calculation for ClF3 (Chlorine trifluoride)

using model chemistry: B3LYP/aug-cc-pV(T+d)Z

States and conformations

Conformer 1 (D3H)

Conformer 2 (C2V)

All results from a given calculation for ClF₃ (Chlorine trifluoride)