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	hartrees
Energy at 0K	-635.082602
Energy at 298.15K	-635.083202
HF Energy	-635.082602
Nuclear repulsion energy	108.415145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1030	983	58.52
2	A'	597	570	99.55
3	A'	297	283	12.91

Atom	x (Å)	y (Å)
F1	-1.237	-0.760
Cl2	0.000	0.459
O3	1.392	-0.121

	F1	Cl2	O3
F1		1.7372	2.7055
Cl2	1.7372		1.5079
O3	2.7055	1.5079

Number	Element	Mulliken
1	F	-0.338
2	Cl	0.756
3	O	-0.418

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

using model chemistry: mPW1PW91/6-311G*

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
	-0.686	2.182	0.000	2.287
CHELPG
AIM
ESP

	x	y	z
x	4.266	0.413	0.000
y	0.413	2.129	0.000
z	0.000	0.000	1.132

<r²>	52.533
(<r²>)^1/2	7.248