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	hartrees
Energy at 0K	-633.677160
Energy at 298.15K
HF Energy	-633.677160
Nuclear repulsion energy	105.514917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1160	1160	41.81
2	A'	875	875	0.94
3	A'	448	448	2.19

Atom	x (Å)	y (Å)
Cl1	-0.711	-0.685
O2	0.000	0.790
F3	1.342	0.592

	Cl1	O2	F3
Cl1		1.6378	2.4176
O2	1.6378		1.3567
F3	2.4176	1.3567

Number	Element	Mulliken
1	Cl	0.312
2	O	-0.132
3	F	-0.180

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

using model chemistry: HF/aug-cc-pCVTZ

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
	-0.747	-0.740	0.000	1.051
CHELPG
AIM
ESP

	x	y	z
x	4.144	0.788	0.000
y	0.788	3.632	0.000
z	0.000	0.000	2.612

<r²>	54.778
(<r²>)^1/2	7.401