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	hartrees
Energy at 0K	-635.096936
Energy at 298.15K
HF Energy	-635.096936
Nuclear repulsion energy	101.857069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	901	901	41.88
2	A'	711	711	21.33
3	A'	383	383	0.48

Atom	x (Å)	y (Å)
Cl1	-0.741	-0.699
O2	0.000	0.818
F3	1.400	0.593

	Cl1	O2	F3
Cl1		1.6886	2.5009
O2	1.6886		1.4183
F3	2.5009	1.4183

Number	Element	Mulliken
1	Cl	0.196
2	O	-0.095
3	F	-0.102

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

using model chemistry: B1B95/cc-pV(D+d)Z

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
	-0.778	-0.824	0.000	1.133
CHELPG
AIM
ESP

	x	y	z
x	3.139	1.034	0.000
y	1.034	2.751	0.000
z	0.000	0.000	1.124

<r²>	57.372
(<r²>)^1/2	7.574