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	hartrees
Energy at 0K	-634.706343
Energy at 298.15K	-634.706993
HF Energy	-634.706343
Nuclear repulsion energy	96.194473

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	881	843	39.63
2	A'	677	648	17.26
3	A'	330	316	0.16

Atom	x (Å)	y (Å)
Cl1	-0.772	-0.759
O2	0.000	0.880
F3	1.459	0.652

	Cl1	O2	F3
Cl1		1.8120	2.6396
O2	1.8120		1.4765
F3	2.6396	1.4765

Number	Element	Mulliken
1	Cl	0.248
2	O	-0.134
3	F	-0.113

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

using model chemistry: HSEh1PBE/6-31G

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
	-0.766	-0.807	0.000	1.112
CHELPG
AIM
ESP

	x	y	z
x	3.304	1.422	0.000
y	1.422	3.118	0.000
z	0.000	0.000	0.692

<r²>	62.964
(<r²>)^1/2	7.935