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	hartrees
Energy at 0K	-709.913075
Energy at 298.15K	-709.914757
HF Energy	-709.913075
Nuclear repulsion energy	189.322497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1086	1042	79.53
2	A'	618	593	177.45
3	A'	529	508	52.69
4	A'	377	362	2.10
5	A"	1221	1171	233.46
6	A"	328	315	10.08

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.344	0.156	0.000
F2	-1.261	0.840	0.000
O3	0.344	-0.638	1.225
O4	0.344	-0.638	-1.225

	Cl1	F2	O3	O4
Cl1		1.7444	1.4594	1.4594
F2	1.7444		2.5019	2.5019
O3	1.4594	2.5019		2.4492
O4	1.4594	2.5019	2.4492

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.318		F2	Cl1	O4	102.318
O3	Cl1	O4	114.089

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

using model chemistry: PBE1PBE/TZVP

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	0.897
2	F	-0.312
3	O	-0.293
4	O	-0.293

	x	y	z	Total
	1.876	1.166	0.000	2.209
CHELPG
AIM
ESP

	x	y	z
x	3.277	-0.973	0.000
y	-0.973	3.109	0.000
z	0.000	0.000	4.504

<r²>	73.728
(<r²>)^1/2	8.587

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

using model chemistry: PBE1PBE/TZVP

States and conformations

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