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	hartrees
Energy at 0K	-630.563962
Energy at 298.15K	-630.564794
HF Energy	-630.563962
Nuclear repulsion energy	101.491186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1181	1066	11.16
2	A'	813	734	2.83
3	A'	404	365	0.98

Atom	x (Å)	y (Å)
Cl1	-0.747	-0.688
O2	0.000	0.833
F3	1.411	0.558

	Cl1	O2	F3
Cl1		1.6941	2.4914
O2	1.6941		1.4371
F3	2.4914	1.4371

Number	Element	Mulliken
1	Cl	0.263
2	O	-0.154
3	F	-0.109

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

using model chemistry: HF/3-21G*

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
	-0.866	-1.046	0.000	1.358
CHELPG
AIM
ESP

	x	y	z
x	3.271	1.048	0.000
y	1.048	2.536	0.000
z	0.000	0.000	0.897

<r²>	57.534
(<r²>)^1/2	7.585