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State	Conformation	minimum conformation	conformer description	state description
1	1	no	D3H	¹A₁^'
1	2	yes	C2V	¹A₁

	hartrees
Energy at 0K	-757.413028
Energy at 298.15K
HF Energy	-757.413028
Nuclear repulsion energy	187.541676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁'	666	601	0.00
2	A₂"	516	466	53.24
3	E'	245i	221i	31.49
3	E'	245i	221i	31.49
4	E'	674	608	481.47
4	E'	674	608	481.47

Atom	x (Å)	y (Å)
Cl1	0.000	0.000
F2	0.000	1.691
F3	1.464	-0.846
F4	-1.464	-0.846

	Cl1	F2	F3	F4
Cl1		1.6910	1.6910	1.6910
F2	1.6910		2.9289	2.9289
F3	1.6910	2.9289		2.9289
F4	1.6910	2.9289	2.9289

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

using model chemistry: HF/6-31G**

States and conformations

Conformer 1 (D3H)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	F3	120.000		F2	Cl1	F4	120.000
F3	Cl1	F4	120.000

Number	Element	Mulliken
1	Cl	1.402
2	F	-0.467
3	F	-0.467
4	F	-0.467

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

using model chemistry: HF/6-31G**

States and conformations

Conformer 1 (D3H)

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