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	hartrees
Energy at 0K	-758.859126
Energy at 298.15K	-758.860730
HF Energy	-757.674998
Nuclear repulsion energy	196.399176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	793	793	56.56
2	A₁	543	543	3.43
3	A₁	330	330	12.46
4	B₁	334	334	15.73
5	B₂	735	735	501.59
6	B₂	440	440	0.22

Atom	y (Å)	z (Å)
Cl1	0.000	0.358
F2	0.000	-1.237
F3	1.697	0.281
F4	-1.697	0.281

	Cl1	F2	F3	F4
Cl1		1.5945	1.6986	1.6986
F2	1.5945		2.2764	2.2764
F3	1.6986	2.2764		3.3936
F4	1.6986	2.2764	3.3936

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	F3	87.399		F2	Cl1	F4	87.399
F3	Cl1	F4	174.798

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

using model chemistry: MP2=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: MP2=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)