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	hartrees
Energy at 0K	-634.726420
Energy at 298.15K	-634.727173
HF Energy	-634.726420
Nuclear repulsion energy	102.012935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	956	909	47.30
2	A'	741	704	17.61
3	A'	389	370	0.31

Atom	x (Å)	y (Å)
Cl1	-0.737	-0.702
O2	0.000	0.820
F3	1.393	0.596

	Cl1	O2	F3
Cl1		1.6913	2.4946
O2	1.6913		1.4108
F3	2.4946	1.4108

Number	Element	Mulliken
1	Cl	0.246
2	O	-0.128
3	F	-0.119

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

using model chemistry: PBE1PBE/6-31G*

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
	-0.585	-0.707	0.000	0.918
CHELPG
AIM
ESP

	x	y	z
x	3.177	1.016	0.000
y	1.016	2.890	0.000
z	0.000	0.000	1.365

<r²>	57.217
(<r²>)^1/2	7.564