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	hartrees
Energy at 0K	-635.194115
Energy at 298.15K	-635.194754
HF Energy	-635.194115
Nuclear repulsion energy	110.357784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1056	1017	69.62
2	A'	614	591	123.55
3	A'	316	305	8.70

Atom	x (Å)	y (Å)
F1	-1.193	-0.694
Cl2	0.000	0.457
O3	1.342	-0.191

	F1	Cl2	O3
F1		1.6577	2.5848
Cl2	1.6577		1.4904
O3	2.5848	1.4904

Number	Element	Mulliken
1	F	-0.234
2	Cl	0.586
3	O	-0.353

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

using model chemistry: B3LYP/Def2TZVPP

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
	-0.713	1.890	0.000	2.020
CHELPG
AIM
ESP

	x	y	z
x	4.460	0.284	0.000
y	0.284	2.665	0.000
z	0.000	0.000	1.709

<r²>	50.848
(<r²>)^1/2	7.131