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	hartrees
Energy at 0K	-635.057891
Energy at 298.15K	-635.058505
HF Energy	-635.057891
Nuclear repulsion energy	99.328728

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	785	785	37.29
2	A'	613	613	88.39
3	A'	348	348	0.74

Atom	x (Å)	y (Å)
Cl1	-0.769	-0.707
O2	0.000	0.825
F3	1.452	0.603

	Cl1	O2	F3
Cl1		1.7145	2.5778
O2	1.7145		1.4686
F3	2.5778	1.4686

Number	Element	Mulliken
1	Cl	0.366
2	O	-0.163
3	F	-0.203

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

using model chemistry: B97D3/aug-cc-pVDZ

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
	-0.956	-0.747	0.000	1.213
CHELPG
AIM
ESP

	x	y	z
x	4.802	1.169	0.000
y	1.169	4.146	0.000
z	0.000	0.000	2.774

<r²>	60.113
(<r²>)^1/2	7.753