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	hartrees
Energy at 0K	-635.102276
Energy at 298.15K	-635.102947
HF Energy	-635.102276
Nuclear repulsion energy	99.823362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	855	831	42.38
2	A'	663	645	38.08
3	A'	358	348	0.12

Atom	x (Å)	y (Å)
Cl1	-0.754	-0.718
O2	0.000	0.835
F3	1.425	0.614

	Cl1	O2	F3
Cl1		1.7261	2.5539
O2	1.7261		1.4418
F3	2.5539	1.4418

Number	Element	Mulliken
1	Cl	0.181
2	O	-0.083
3	F	-0.098

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

using model chemistry: TPSSh/cc-pVDZ

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
	-0.748	-0.752	0.000	1.061
CHELPG
AIM
ESP

	x	y	z
x	3.284	1.160	0.000
y	1.160	2.909	0.000
z	0.000	0.000	1.101

<r²>	59.254
(<r²>)^1/2	7.698