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	hartrees
Energy at 0K	-635.179529
Energy at 298.15K	-635.180130
HF Energy	-635.179529
Nuclear repulsion energy	99.139187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	773	773	31.75
2	A'	606	606	79.46
3	A'	341	341	0.86

Atom	x (Å)	y (Å)
Cl1	-0.779	-0.693
O2	0.000	0.820
F3	1.472	0.580

	Cl1	O2	F3
Cl1		1.7020	2.5859
O2	1.7020		1.4914
F3	2.5859	1.4914

Number	Element	Mulliken
1	Cl	0.159
2	O	-0.047
3	F	-0.112

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

using model chemistry: BLYP/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
	-1.012	-0.818	0.000	1.301
CHELPG
AIM
ESP

	x	y	z
x	4.151	1.199	0.000
y	1.199	3.425	0.000
z	0.000	0.000	1.826

<r²>	60.188
(<r²>)^1/2	7.758