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	hartrees
Energy at 0K	-634.999004
Energy at 298.15K	-634.999791
HF Energy	-634.999004
Nuclear repulsion energy	102.094623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	991	991	39.45
2	A'	759	759	6.08
3	A'	400	400	0.62

Atom	x (Å)	y (Å)
Cl1	-0.732	-0.707
O2	0.000	0.826
F3	1.384	0.601

	Cl1	O2	F3
Cl1		1.6987	2.4876
O2	1.6987		1.4017
F3	2.4876	1.4017

Number	Element	Mulliken
1	Cl	0.199
2	O	-0.099
3	F	-0.100

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

using model chemistry: M06-2X/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
	-0.735	-0.837	0.000	1.114
CHELPG
AIM
ESP

	x	y	z
x	3.025	0.997	0.000
y	0.997	2.747	0.000
z	0.000	0.000	1.112

<r²>	57.206
(<r²>)^1/2	7.563