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	hartrees
Energy at 0K	-634.798504
Energy at 298.15K	-634.799235
HF Energy	-634.798504
Nuclear repulsion energy	101.704980

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	910	872	51.84
2	A'	705	676	23.34
3	A'	386	370	0.38

Atom	x (Å)	y (Å)
Cl1	-0.738	-0.710
O2	0.000	0.819
F3	1.393	0.614

	Cl1	O2	F3
Cl1		1.6979	2.5093
O2	1.6979		1.4084
F3	2.5093	1.4084

Number	Element	Mulliken
1	Cl	0.216
2	O	-0.108
3	F	-0.108

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

using model chemistry: PBE1PBE/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
	-0.734	-0.815	0.000	1.097
CHELPG
AIM
ESP

	x	y	z
x	3.104	1.116	0.000
y	1.116	2.850	0.000
z	0.000	0.000	1.070

<r²>	57.956
(<r²>)^1/2	7.613