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	hartrees
Energy at 0K	-635.079330
Energy at 298.15K	-635.080023
HF Energy	-635.079330
Nuclear repulsion energy	100.411741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	864	833	57.70
2	A'	692	667	36.41
3	A'	367	354	0.85

Atom	x (Å)	y (Å)
Cl1	-0.757	-0.702
O2	0.000	0.826
F3	1.429	0.591

	Cl1	O2	F3
Cl1		1.7045	2.5396
O2	1.7045		1.4482
F3	2.5396	1.4482

Number	Element	Mulliken
1	Cl	0.189
2	O	-0.089
3	F	-0.100

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

using model chemistry: B3LYP/6-31+G**

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
	-1.000	-0.877	0.000	1.331
CHELPG
AIM
ESP

	x	y	z
x	4.021	1.108	0.000
y	1.108	3.503	0.000
z	0.000	0.000	2.018

<r²>	59.101
(<r²>)^1/2	7.688