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	hartrees
Energy at 0K	-634.827314
Energy at 298.15K	-634.827956
HF Energy	-634.827314
Nuclear repulsion energy	100.501044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	804	804	33.53
2	A'	638	638	79.46
3	A'	355	355	0.90

Atom	x (Å)	y (Å)
Cl1	-0.768	-0.685
O2	0.000	0.810
F3	1.450	0.573

	Cl1	O2	F3
Cl1		1.6805	2.5501
O2	1.6805		1.4696
F3	2.5501	1.4696

Number	Element	Mulliken
1	Cl	0.155
2	O	-0.051
3	F	-0.104

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

using model chemistry: PBEPBEultrafine/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
	-0.915	-0.765	0.000	1.193
CHELPG
AIM
ESP

	x	y	z
x	4.006	1.146	0.000
y	1.146	3.344	0.000
z	0.000	0.000	1.793

<r²>	58.877
(<r²>)^1/2	7.673