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	hartrees
Energy at 0K	-631.628181
Energy at 298.15K	-631.628874
HF Energy	-631.628181
Nuclear repulsion energy	96.764877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1012	975	29.60
2	A'	691	666	19.19
3	A'	336	323	0.20

Atom	x (Å)	y (Å)
Cl1	-0.765	-0.752
O2	0.000	0.890
F3	1.445	0.630

	Cl1	O2	F3
Cl1		1.8111	2.6061
O2	1.8111		1.4676
F3	2.6061	1.4676

Number	Element	Mulliken
1	Cl	0.175
2	O	-0.106
3	F	-0.070

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

using model chemistry: HSEh1PBE/3-21G

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
	-0.442	-0.490	0.000	0.660
CHELPG
AIM
ESP

	x	y	z
x	2.925	1.348	0.000
y	1.348	2.828	0.000
z	0.000	0.000	0.524

<r²>	61.917
(<r²>)^1/2	7.869