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	hartrees
Energy at 0K	-635.098418
Energy at 298.15K	-635.099158
HF Energy	-635.098418
Nuclear repulsion energy	101.492244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	906	906	43.07
2	A'	715	715	20.77
3	A'	380	380	0.40

Atom	x (Å)	y (Å)
Cl1	-0.741	-0.707
O2	0.000	0.824
F3	1.399	0.603

	Cl1	O2	F3
Cl1		1.7008	2.5087
O2	1.7008		1.4162
F3	2.5087	1.4162

Number	Element	Mulliken
1	Cl	0.191
2	O	-0.090
3	F	-0.101

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

using model chemistry: B1B95/cc-pCVDZ

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
	-0.758	-0.807	0.000	1.107
CHELPG
AIM
ESP

	x	y	z
x	3.136	1.054	0.000
y	1.054	2.798	0.000
z	0.000	0.000	1.123

<r²>	57.717
(<r²>)^1/2	7.597