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	hartrees
Energy at 0K	-758.708622
Energy at 298.15K	-758.710209
HF Energy	-757.674146
Nuclear repulsion energy	195.809913

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	786	786	56.03
2	A₁	536	536	3.29
3	A₁	328	328	12.60
4	B₁	331	331	15.73
5	B₂	727	727	495.21
6	B₂	439	439	0.21

Atom	y (Å)	z (Å)
Cl1	0.000	0.358
F2	0.000	-1.240
F3	1.703	0.281
F4	-1.703	0.281

	Cl1	F2	F3	F4
Cl1		1.5980	1.7044	1.7044
F2	1.5980		2.2831	2.2831
F3	1.7044	2.2831		3.4053
F4	1.7044	2.2831	3.4053

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	F3	87.412		F2	Cl1	F4	87.412
F3	Cl1	F4	174.823

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

using model chemistry: MP2/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/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)