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	hartrees
Energy at 0K	-635.079342
Energy at 298.15K	-635.080034
HF Energy	-635.079342
Nuclear repulsion energy	100.396449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	865	832	57.95
2	A'	690	664	36.17
3	A'	366	353	0.82

Atom	x (Å)	y (Å)
Cl1	-0.757	-0.702
O2	0.000	0.826
F3	1.429	0.592

	Cl1	O2	F3
Cl1		1.7051	2.5400
O2	1.7051		1.4480
F3	2.5400	1.4480

Number	Element	Mulliken
1	Cl	0.189
2	O	-0.088
3	F	-0.100

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

using model chemistry: B3LYPultrafine/6-31+G**

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
	-0.999	-0.877	0.000	1.329
CHELPG
AIM
ESP

	x	y	z
x	4.020	1.109	0.000
y	1.109	3.505	0.000
z	0.000	0.000	2.018

<r²>	59.116
(<r²>)^1/2	7.689