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	hartrees
Energy at 0K	-710.384154
Energy at 298.15K	-710.385834
HF Energy	-710.384154
Nuclear repulsion energy	190.447742

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1078	1043	68.20
2	A'	604	584	147.13
3	A'	532	514	57.29
4	A'	378	366	3.32
5	A"	1218	1178	211.34
6	A"	328	318	6.74

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.344	0.154	0.000
F2	-1.263	0.831	0.000
O3	0.344	-0.631	1.216
O4	0.344	-0.631	-1.216

	Cl1	F2	O3	O4
Cl1		1.7445	1.4466	1.4466
F2	1.7445		2.4897	2.4897
O3	1.4466	2.4897		2.4313
O4	1.4466	2.4897	2.4313

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.151		F2	Cl1	O4	102.151
O3	Cl1	O4	114.352

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

using model chemistry: B3LYPultrafine/aug-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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Number	Element	Mulliken
1	Cl	1.631
2	F	-0.418
3	O	-0.606
4	O	-0.606

	x	y	z	Total
	1.697	0.976	0.000	1.957
CHELPG
AIM
ESP

	x	y	z
x	4.237	-0.864	0.000
y	-0.864	3.980	0.000
z	0.000	0.000	5.087

<r²>	73.002
(<r²>)^1/2	8.544

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

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