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	hartrees
Energy at 0K	-635.010875
Energy at 298.15K	-635.011525
HF Energy	-635.010875
Nuclear repulsion energy	109.503877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1066	1011	55.24
2	A'	663	629	94.27
3	A'	308	292	11.48

Atom	x (Å)	y (Å)
F1	-1.232	-0.721
Cl2	0.000	0.451
O3	1.386	-0.147

	F1	Cl2	O3
F1		1.7001	2.6810
Cl2	1.7001		1.5097
O3	2.6810	1.5097

Number	Element	Mulliken
1	F	-0.334
2	Cl	0.830
3	O	-0.495

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

using model chemistry: mPW1PW91/6-31G*

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
	-0.952	1.864	0.000	2.093
CHELPG
AIM
ESP

	x	y	z
x	4.107	0.291	0.000
y	0.291	2.158	0.000
z	0.000	0.000	1.411

<r²>	51.344
(<r²>)^1/2	7.165