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	hartrees
Energy at 0K	-634.841803
Energy at 298.15K	-634.842320
HF Energy	-634.640985
Nuclear repulsion energy	105.917444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1005	1005	33.08
2	A'	522	522	77.21
3	A'	270	270	11.77

Atom	x (Å)	y (Å)
F1	-1.267	-0.804
Cl2	0.000	0.466
O3	1.425	-0.085

	F1	Cl2	O3
F1		1.7938	2.7864
Cl2	1.7938		1.5277
O3	2.7864	1.5277

Number	Element	Mulliken
1	F	-0.346
2	Cl	0.726
3	O	-0.379

All results from a given calculation for FClO (chlorosyl fluoride)

using model chemistry: B2PLYP/6-311G**

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
	-0.348	2.231	0.000	2.258
CHELPG
AIM
ESP

	x	y	z
x	4.569	0.527	0.000
y	0.527	2.228	0.000
z	0.000	0.000	1.116

<r²>	54.727
(<r²>)^1/2	7.398