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	hartrees
Energy at 0K	-710.138311
Energy at 298.15K	-710.140055
HF Energy	-710.138311
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1107	1107	77.68
2	A'	671	671	168.99
3	A'	535	535	38.11
4	A'	386	386	2.17
5	A"	1250	1250	211.77
6	A"	329	329	9.64

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.340	0.153	0.000
F2	-1.247	0.844	0.000
O3	0.340	-0.637	1.225
O4	0.340	-0.637	-1.225

	Cl1	F2	O3	O4
Cl1		1.7313	1.4580	1.4580
F2	1.7313		2.4930	2.4930
O3	1.4580	2.4930		2.4510
O4	1.4580	2.4930	2.4510

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.485		F2	Cl1	O4	102.485
O3	Cl1	O4	114.388

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

using model chemistry: wB97X-D/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	1.049
2	F	-0.334
3	O	-0.358
4	O	-0.358

	x	y	z	Total
	1.729	1.210	0.000	2.111
CHELPG
AIM
ESP

	x	y	z
x	2.768	-0.895	0.000
y	-0.895	2.595	0.000
z	0.000	0.000	3.892

<r²>	72.907
(<r²>)^1/2	8.539

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

using model chemistry: wB97X-D/cc-pCVDZ

States and conformations

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