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	hartrees
Energy at 0K	-634.814735
Energy at 298.15K	-634.815346
HF Energy	-634.814735
Nuclear repulsion energy	99.037038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	790	781	42.51
2	A'	618	611	90.67
3	A'	342	338	0.42

Atom	x (Å)	y (Å)
Cl1	-0.771	-0.711
O2	0.000	0.824
F3	1.457	0.611

	Cl1	O2	F3
Cl1		1.7173	2.5907
O2	1.7173		1.4723
F3	2.5907	1.4723

Number	Element	Mulliken
1	Cl	0.151
2	O	-0.045
3	F	-0.106

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

using model chemistry: PBEPBEultrafine/TZVP

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
	-1.002	-0.916	0.000	1.357
CHELPG
AIM
ESP

	x	y	z
x	3.785	1.334	0.000
y	1.334	3.302	0.000
z	0.000	0.000	1.363

<r²>	60.527
(<r²>)^1/2	7.780