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	hartrees
Energy at 0K	-633.691132
Energy at 298.15K	-633.692026
HF Energy	-633.691132
Nuclear repulsion energy	105.543558

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1160	1054	42.01
2	A'	875	795	0.88
3	A'	449	408	2.14

Atom	x (Å)	y (Å)
Cl1	-0.709	-0.687
O2	0.000	0.791
F3	1.340	0.594

	Cl1	O2	F3
Cl1		1.6390	2.4166
O2	1.6390		1.3544
F3	2.4166	1.3544

Number	Element	Mulliken
1	Cl	0.337
2	O	-0.143
3	F	-0.194

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

using model chemistry: HF/aug-cc-pVQZ

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
	-0.733	-0.733	0.000	1.036
CHELPG
AIM
ESP

	x	y	z
x	4.158	0.787	0.000
y	0.787	3.663	0.000
z	0.000	0.000	2.639

<r²>	54.742
(<r²>)^1/2	7.399