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	hartrees
Energy at 0K	-710.277185
Energy at 298.15K	-710.279003
HF Energy	-710.277185
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1158	1107	77.22
2	A'	658	629	184.52
3	A'	567	542	51.72
4	A'	413	395	1.44
5	A"	1304	1246	239.22
6	A"	360	344	8.59

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.336	0.158	0.000
F2	-1.233	0.806	0.000
O3	0.336	-0.621	1.201
O4	0.336	-0.621	-1.201

	Cl1	F2	O3	O4
Cl1		1.6978	1.4313	1.4313
F2	1.6978		2.4373	2.4373
O3	1.4313	2.4373		2.4025
O4	1.4313	2.4373	2.4025

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	101.984		F2	Cl1	O4	101.984
O3	Cl1	O4	114.128

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

using model chemistry: wB97X-D/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	0.972
2	F	-0.281
3	O	-0.346
4	O	-0.346

	x	y	z	Total
	1.495	1.160	0.000	1.893
CHELPG
AIM
ESP

	x	y	z
x	3.208	-0.774	0.000
y	-0.774	3.016	0.000
z	0.000	0.000	4.187

<r²>	70.617
(<r²>)^1/2	8.403

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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