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	hartrees
Energy at 0K	-635.100334
Energy at 298.15K
HF Energy	-635.100334
Nuclear repulsion energy	100.437597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	867	867	42.01
2	A'	671	671	27.78
3	A'	368	368	0.25

Atom	x (Å)	y (Å)
Cl1	-0.752	-0.710
O2	0.000	0.828
F3	1.420	0.605

	Cl1	O2	F3
Cl1		1.7120	2.5388
O2	1.7120		1.4373
F3	2.5388	1.4373

Number	Element	Mulliken
1	Cl	0.192
2	O	-0.089
3	F	-0.102

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

using model chemistry: B3LYPultrafine/cc-pV(D+d)Z

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
	-0.801	-0.824	0.000	1.149
CHELPG
AIM
ESP

	x	y	z
x	3.242	1.108	0.000
y	1.108	2.837	0.000
z	0.000	0.000	1.116

<r²>	58.690
(<r²>)^1/2	7.661