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	hartrees
Energy at 0K	-635.072701
Energy at 298.15K	-635.073439
HF Energy	-635.072701
Nuclear repulsion energy	101.904288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	911	871	58.52
2	A'	733	701	25.19
3	A'	382	365	0.98

Atom	x (Å)	y (Å)
Cl1	-0.744	-0.693
O2	0.000	0.818
F3	1.405	0.582

	Cl1	O2	F3
Cl1		1.6836	2.4982
O2	1.6836		1.4244
F3	2.4982	1.4244

Number	Element	Mulliken
1	Cl	0.185
2	O	-0.088
3	F	-0.097

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

using model chemistry: B1B95/6-31+G**

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
	-0.910	-0.828	0.000	1.231
CHELPG
AIM
ESP

	x	y	z
x	3.810	1.021	0.000
y	1.021	3.349	0.000
z	0.000	0.000	1.958

<r²>	57.603
(<r²>)^1/2	7.590