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	hartrees
Energy at 0K	-635.158074
Energy at 298.15K	-635.158643
HF Energy	-635.158074
Nuclear repulsion energy	106.930035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	985	949	56.25
2	A'	577	556	111.51
3	A'	285	275	11.57

Atom	x (Å)	y (Å)
F1	-1.248	-0.770
Cl2	0.000	0.473
O3	1.404	-0.138

	F1	Cl2	O3
F1		1.7616	2.7265
Cl2	1.7616		1.5314
O3	2.7265	1.5314

Number	Element	Mulliken
1	F	-0.297
2	Cl	0.622
3	O	-0.326

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

using model chemistry: B3LYPultrafine/TZVP

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
	-0.583	2.262	0.000	2.336
CHELPG
AIM
ESP

	x	y	z
x	4.794	0.417	0.000
y	0.417	2.489	0.000
z	0.000	0.000	1.336

<r²>	53.678
(<r²>)^1/2	7.326