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	hartrees
Energy at 0K	-633.690007
Energy at 298.15K	-633.690900
HF Energy	-633.690007
Nuclear repulsion energy	105.530570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1160	1054	41.73
2	A'	875	795	0.86
3	A'	448	407	2.16

Atom	x (Å)	y (Å)
Cl1	-0.710	-0.687
O2	0.000	0.791
F3	1.340	0.594

	Cl1	O2	F3
Cl1		1.6392	2.4167
O2	1.6392		1.3547
F3	2.4167	1.3547

Number	Element	Mulliken
1	Cl	0.189
2	O	-0.074
3	F	-0.115

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

using model chemistry: HF/cc-pVQZ

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
	-0.739	-0.753	0.000	1.055
CHELPG
AIM
ESP

	x	y	z
x	3.762	0.848	0.000
y	0.848	3.311	0.000
z	0.000	0.000	2.115

<r²>	54.709
(<r²>)^1/2	7.397