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	hartrees
Energy at 0K	-635.160179
Energy at 298.15K	-635.160742
HF Energy	-635.160179
Nuclear repulsion energy	97.668457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	757	755	40.05
2	A'	585	584	89.71
3	A'	328	327	0.44

Atom	x (Å)	y (Å)
Cl1	-0.784	-0.718
O2	0.000	0.834
F3	1.480	0.615

	Cl1	O2	F3
Cl1		1.7385	2.6276
O2	1.7385		1.4966
F3	2.6276	1.4966

Number	Element	Mulliken
1	Cl	0.166
2	O	-0.050
3	F	-0.117

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

using model chemistry: BLYP/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
	-1.121	-0.978	0.000	1.488
CHELPG
AIM
ESP

	x	y	z
x	3.953	1.408	0.000
y	1.408	3.398	0.000
z	0.000	0.000	1.359

<r²>	61.912
(<r²>)^1/2	7.868