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	hartrees
Energy at 0K	-635.113204
Energy at 298.15K	-635.113784
HF Energy	-635.113204
Nuclear repulsion energy	98.080273

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	763	762	34.67
2	A'	598	597	92.63
3	A'	332	331	0.85

Atom	x (Å)	y (Å)
Cl1	-0.780	-0.713
O2	0.000	0.835
F3	1.474	0.604

	Cl1	O2	F3
Cl1		1.7331	2.6106
O2	1.7331		1.4918
F3	2.6106	1.4918

Number	Element	Mulliken
1	Cl	0.354
2	O	-0.153
3	F	-0.200

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

using model chemistry: BLYP/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
	-1.045	-0.798	0.000	1.314
CHELPG
AIM
ESP

	x	y	z
x	5.006	1.243	0.000
y	1.243	4.263	0.000
z	0.000	0.000	2.810

<r²>	61.497
(<r²>)^1/2	7.842