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	hartrees
Energy at 0K	-635.000535
Energy at 298.15K	-635.001263
HF Energy	-635.000535
Nuclear repulsion energy	101.238359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	886	855	54.78
2	A'	718	693	29.30
3	A'	377	364	0.73

Atom	x (Å)	y (Å)
Cl1	-0.745	-0.706
O2	0.000	0.822
F3	1.407	0.602

	Cl1	O2	F3
Cl1		1.6998	2.5184
O2	1.6998		1.4243
F3	2.5184	1.4243

Number	Element	Mulliken
1	Cl	0.376
2	O	-0.157
3	F	-0.219

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

using model chemistry: B3PW91/aug-cc-pVDZ

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
	-0.787	-0.689	0.000	1.046
CHELPG
AIM
ESP

	x	y	z
x	4.431	1.005	0.000
y	1.005	3.943	0.000
z	0.000	0.000	2.674

<r²>	58.267
(<r²>)^1/2	7.633