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	hartrees
Energy at 0K	-634.937949
Energy at 298.15K	-634.938666
HF Energy	-634.709757
Nuclear repulsion energy	101.637115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	853	853	38.82
2	A'	715	715	20.34
3	A'	377	377	1.15

Atom	x (Å)	y (Å)
Cl1	-0.752	-0.684
O2	0.000	0.815
F3	1.420	0.567

	Cl1	O2	F3
Cl1		1.6770	2.5068
O2	1.6770		1.4419
F3	2.5068	1.4419

Number	Element	Mulliken
1	Cl	0.154
2	O	-0.051
3	F	-0.103

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

using model chemistry: B2PLYP/cc-pV(T+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
	-0.843	-0.762	0.000	1.136
CHELPG
AIM
ESP

	x	y	z
x	3.733	0.992	0.000
y	0.992	3.204	0.000
z	0.000	0.000	1.745

<r²>	57.710
(<r²>)^1/2	7.597