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	hartrees
Energy at 0K	-634.853693
Energy at 298.15K	-634.854368
HF Energy	-634.668160
Nuclear repulsion energy	100.321870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	832	832	37.41
2	A'	666	666	22.07
3	A'	366	366	0.32

Atom	x (Å)	y (Å)
Cl1	-0.751	-0.712
O2	0.000	0.832
F3	1.419	0.606

	Cl1	O2	F3
Cl1		1.7173	2.5388
O2	1.7173		1.4366
F3	2.5388	1.4366

Number	Element	Mulliken
1	Cl	0.217
2	O	-0.105
3	F	-0.113

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

using model chemistry: B2PLYP/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
	-0.815	-0.855	0.000	1.181
CHELPG
AIM
ESP

	x	y	z
x	3.184	1.139	0.000
y	1.139	2.886	0.000
z	0.000	0.000	1.054

<r²>	59.123
(<r²>)^1/2	7.689