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	hartrees
Energy at 0K	-634.745699
Energy at 298.15K
HF Energy	-634.745699
Nuclear repulsion energy	99.454431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	801	801	35.46
2	A'	612	612	70.09
3	A'	348	348	0.06

Atom	x (Å)	y (Å)
Cl1	-0.765	-0.710
O2	0.000	0.826
F3	1.446	0.606

	Cl1	O2	F3
Cl1		1.7161	2.5730
O2	1.7161		1.4626
F3	2.5730	1.4626

Number	Element	Mulliken
1	Cl	0.184
2	O	-0.089
3	F	-0.095

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

using model chemistry: PBEPBE/cc-pV(D+d)Z

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
	-0.786	-0.779	0.000	1.107
CHELPG
AIM
ESP

	x	y	z
x	3.408	1.211	0.000
y	1.211	2.910	0.000
z	0.000	0.000	1.128

<r²>	59.673
(<r²>)^1/2	7.725