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	hartrees
Energy at 0K	-758.685737
Energy at 298.15K	-758.687189
HF Energy	-757.666514
Nuclear repulsion energy	196.512157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	788	788
2	A₁	550	550
3	A₁	337	337
4	B₁	341	341
5	B₂	758	758
6	B₂	446	446

Atom	y (Å)	z (Å)
Cl1	0.000	0.358
F2	0.000	-1.240
F3	1.693	0.282
F4	-1.693	0.282

	Cl1	F2	F3	F4
Cl1		1.5977	1.6951	1.6951
F2	1.5977		2.2764	2.2764
F3	1.6951	2.2764		3.3868
F4	1.6951	2.2764	3.3868

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	F3	87.415		F2	Cl1	F4	87.415
F3	Cl1	F4	174.830

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

using model chemistry: ROMP2/cc-pCVTZ

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	0.957
2	F	-0.158
3	F	-0.400
4	F	-0.400

<r²>	86.748
(<r²>)^1/2	9.314

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

using model chemistry: ROMP2/cc-pCVTZ

States and conformations

Conformer 1 (D3H)

Conformer 2 (C2V)

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