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	hartrees
Energy at 0K	-634.655046
Energy at 298.15K	-634.655628
HF Energy	-634.538441
Nuclear repulsion energy	94.498588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	812	812	24.78
2	A'	632	632	13.82
3	A'	310	310	0.07

Atom	x (Å)	y (Å)
Cl1	-0.789	-0.763
O2	0.000	0.902
F3	1.490	0.641

	Cl1	O2	F3
Cl1		1.8426	2.6764
O2	1.8426		1.5125
F3	2.6764	1.5125

Number	Element	Mulliken
1	Cl	0.231
2	O	-0.120
3	F	-0.112

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

using model chemistry: B2PLYP/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
	-0.828	-0.813	0.000	1.160
CHELPG
AIM
ESP

	x	y	z
x	3.338	1.418	0.000
y	1.418	3.157	0.000
z	0.000	0.000	0.673

<r²>	64.573
(<r²>)^1/2	8.036