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	hartrees
Energy at 0K	-635.061506
Energy at 298.15K	-635.062164
HF Energy	-635.061506
Nuclear repulsion energy	110.347138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1072	1031	64.67
2	A'	635	611	117.80
3	A'	317	305	8.73

Atom	x (Å)	y (Å)
F1	-1.209	-0.729
Cl2	0.000	0.461
O3	1.360	-0.160

	F1	Cl2	O3
F1		1.6964	2.6306
Cl2	1.6964		1.4951
O3	2.6306	1.4951

Number	Element	Mulliken
1	F	-0.257
2	Cl	0.632
3	O	-0.375

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

using model chemistry: B3PW91/cc-pVTZ

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
	-0.757	1.846	0.000	1.995
CHELPG
AIM
ESP

	x	y	z
x	4.305	0.269	0.000
y	0.269	2.537	0.000
z	0.000	0.000	1.671

<r²>	50.658
(<r²>)^1/2	7.117