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	hartrees
Energy at 0K	-635.120636
Energy at 298.15K	-635.121347
HF Energy	-635.120636
Nuclear repulsion energy	112.193620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1132	1132	78.47
2	A'	672	672	131.31
3	A'	338	338	9.15

Atom	x (Å)	y (Å)
F1	-1.188	-0.712
Cl2	0.000	0.456
O3	1.336	-0.167

	F1	Cl2	O3
F1		1.6655	2.5819
Cl2	1.6655		1.4740
O3	2.5819	1.4740

Number	Element	Mulliken
1	F	-0.240
2	Cl	0.620
3	O	-0.380

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

using model chemistry: wB97X-D/cc-pCVTZ

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
	-0.866	1.798	0.000	1.996
CHELPG
AIM
ESP

	x	y	z
x	4.147	0.227	0.000
y	0.227	2.511	0.000
z	0.000	0.000	1.708

<r²>	49.349
(<r²>)^1/2	7.025