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	hartrees
Energy at 0K	-759.428002
Energy at 298.15K	-759.429530
HF Energy	-759.045267
Nuclear repulsion energy	194.505476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	760	760	52.09
2	A₁	525	525	3.83
3	A₁	314	314	11.88
4	B₁	330	330	16.01
5	B₂	699	699	504.72
6	B₂	422	422	0.09

Atom	y (Å)	z (Å)
Cl1	0.000	0.356
F2	0.000	-1.252
F3	1.713	0.290
F4	-1.713	0.290

	Cl1	F2	F3	F4
Cl1		1.6084	1.7142	1.7142
F2	1.6084		2.3048	2.3048
F3	1.7142	2.3048		3.4259
F4	1.7142	2.3048	3.4259

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	F3	87.785		F2	Cl1	F4	87.785
F3	Cl1	F4	175.569

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for ClF3 (Chlorine trifluoride)

using model chemistry: B2PLYP=FULL/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)