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	hartrees
Energy at 0K	-635.017525
Energy at 298.15K	-635.018226
HF Energy	-635.017525
Nuclear repulsion energy	101.032122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	878	845	51.15
2	A'	680	654	30.63
3	A'	376	362	0.31

Atom	x (Å)	y (Å)
Cl1	-0.744	-0.714
O2	0.000	0.822
F3	1.405	0.617

	Cl1	O2	F3
Cl1		1.7063	2.5281
O2	1.7063		1.4201
F3	2.5281	1.4201

Number	Element	Mulliken
1	Cl	0.218
2	O	-0.109
3	F	-0.110

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

using model chemistry: B3PW91/6-311G*

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
	-0.778	-0.841	0.000	1.146
CHELPG
AIM
ESP

	x	y	z
x	3.176	1.157	0.000
y	1.157	2.893	0.000
z	0.000	0.000	1.068

<r²>	58.549
(<r²>)^1/2	7.652