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	hartrees
Energy at 0K	-634.951712
Energy at 298.15K	-634.952320
HF Energy	-634.951712
Nuclear repulsion energy	108.358169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1041	999	63.12
2	A'	605	581	121.39
3	A'	298	286	11.89

Atom	x (Å)	y (Å)
F1	-1.236	-0.752
Cl2	0.000	0.463
O3	1.390	-0.139

	F1	Cl2	O3
F1		1.7329	2.6961
Cl2	1.7329		1.5150
O3	2.6961	1.5150

Number	Element	Mulliken
1	F	-0.315
2	Cl	0.749
3	O	-0.433

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

using model chemistry: B3PW91/6-31+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
	-0.699	2.158	0.000	2.269
CHELPG
AIM
ESP

	x	y	z
x	4.917	0.402	0.000
y	0.402	2.678	0.000
z	0.000	0.000	1.904

<r²>	52.604
(<r²>)^1/2	7.253