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	hartrees
Energy at 0K	-710.096994
Energy at 298.15K	-710.098827
HF Energy	-710.096994
Nuclear repulsion energy	191.507688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1117	1117	81.04
2	A'	700	700	189.53
3	A'	558	558	42.10
4	A'	409	409	1.98
5	A"	1270	1270	224.53
6	A"	361	361	11.47

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.336	0.159	0.000
F2	-1.233	0.819	0.000
O3	0.336	-0.630	1.220
O4	0.336	-0.630	-1.220

	Cl1	F2	O3	O4
Cl1		1.7025	1.4526	1.4526
F2	1.7025		2.4597	2.4597
O3	1.4526	2.4597		2.4395
O4	1.4526	2.4597	2.4395

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.154		F2	Cl1	O4	102.154
O3	Cl1	O4	114.215

All results from a given calculation for ClO₂F (Chloryl fluoride)

using model chemistry: M06-2X/cc-pCVDZ

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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Number	Element	Mulliken
1	Cl	1.092
2	F	-0.338
3	O	-0.377
4	O	-0.377

	x	y	z	Total
	1.655	1.383	0.000	2.156
CHELPG
AIM
ESP

	x	y	z
x	2.689	-0.849	0.000
y	-0.849	2.522	0.000
z	0.000	0.000	3.795

<r²>	71.885
(<r²>)^1/2	8.478

All results from a given calculation for ClO2F (Chloryl fluoride)

using model chemistry: M06-2X/cc-pCVDZ

States and conformations

All results from a given calculation for ClO₂F (Chloryl fluoride)