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	hartrees
Energy at 0K	-631.742831
Energy at 298.15K	-631.743540
HF Energy	-631.742831
Nuclear repulsion energy	99.094562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	990	950	23.69
2	A'	700	672	21.02
3	A'	353	339	0.11

Atom	x (Å)	y (Å)
Cl1	-0.768	-0.698
O2	0.000	0.852
F3	1.451	0.562

	Cl1	O2	F3
Cl1		1.7299	2.5514
O2	1.7299		1.4792
F3	2.5514	1.4792

Number	Element	Mulliken
1	Cl	0.197
2	O	-0.119
3	F	-0.078

All results from a given calculation for ClOF (Chlorine hypofluorite)

using model chemistry: HSEh1PBE/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.632	-0.719	0.000	0.957
CHELPG
AIM
ESP

	x	y	z
x	3.157	1.066	0.000
y	1.066	2.622	0.000
z	0.000	0.000	0.914

<r²>	59.455
(<r²>)^1/2	7.711