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	hartrees
Energy at 0K	-634.927866
Energy at 298.15K	-634.928573
HF Energy	-634.698698
Nuclear repulsion energy	101.789470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	832	832	38.10
2	A'	710	710	28.26
3	A'	377	377	1.56

Atom	x (Å)	y (Å)
Cl1	-0.752	-0.681
O2	0.000	0.812
F3	1.421	0.564

	Cl1	O2	F3
Cl1		1.6719	2.5042
O2	1.6719		1.4426
F3	2.5042	1.4426

Number	Element	Mulliken
1	Cl	0.113
2	O	0.053
3	F	-0.167

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

using model chemistry: B2PLYP/6-311+G(3df,2p)

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
	-0.882	-0.740	0.000	1.152
CHELPG
AIM
ESP

	x	y	z
x	4.485	0.944	0.000
y	0.944	3.867	0.000
z	0.000	0.000	2.701

<r²>	57.802
(<r²>)^1/2	7.603