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	hartrees
Energy at 0K	-635.148158
Energy at 298.15K
HF Energy	-635.148158
Nuclear repulsion energy	102.861814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	916	916	54.72
2	A'	750	750	20.12
3	A'	394	394	1.31

Atom	x (Å)	y (Å)
Cl1	-0.740	-0.683
O2	0.000	0.803
F3	1.399	0.577

	Cl1	O2	F3
Cl1		1.6601	2.4823
O2	1.6601		1.4167
F3	2.4823	1.4167

Number	Element	Mulliken
1	Cl	0.268
2	O	-0.108
3	F	-0.160

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

using model chemistry: mPW1PW91/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
	-0.798	-0.681	0.000	1.049
CHELPG
AIM
ESP

	x	y	z
x	4.506	0.909	0.000
y	0.909	3.925	0.000
z	0.000	0.000	2.817

<r²>	56.836
(<r²>)^1/2	7.539