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	hartrees
Energy at 0K	-635.088988
Energy at 298.15K	-635.089796
HF Energy	-635.088988
Nuclear repulsion energy	103.258712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1002	957	49.39
2	A'	798	763	3.22
3	A'	403	385	1.44

Atom	x (Å)	y (Å)
Cl1	-0.732	-0.687
O2	0.000	0.809
F3	1.382	0.578

	Cl1	O2	F3
Cl1		1.6657	2.4636
O2	1.6657		1.4014
F3	2.4636	1.4014

Number	Element	Mulliken
1	Cl	0.277
2	O	-0.148
3	F	-0.130

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

using model chemistry: M06-2X/aug-cc-pVTZ

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
	-0.789	-0.727	0.000	1.073
CHELPG
AIM
ESP

	x	y	z
x	4.393	0.838	0.000
y	0.838	3.888	0.000
z	0.000	0.000	2.799

<r²>	56.467
(<r²>)^1/2	7.514