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	hartrees
Energy at 0K	-710.389674
Energy at 298.15K	-710.391328
HF Energy	-710.389674
Nuclear repulsion energy	190.146928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1072	1034	64.35
2	A'	600	579	140.97
3	A'	522	503	50.34
4	A'	372	359	2.75
5	A"	1215	1173	202.29
6	A"	321	310	6.13

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.344	0.153	0.000
F2	-1.261	0.833	0.000
O3	0.344	-0.631	1.220
O4	0.344	-0.631	-1.220

	Cl1	F2	O3	O4
Cl1		1.7433	1.4503	1.4503
F2	1.7433		2.4918	2.4918
O3	1.4503	2.4918		2.4403
O4	1.4503	2.4918	2.4403

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.173		F2	Cl1	O4	102.173
O3	Cl1	O4	114.552

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

using model chemistry: TPSSh/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	1.559
2	F	-0.394
3	O	-0.583
4	O	-0.583

	x	y	z	Total
	1.608	0.906	0.000	1.846
CHELPG
AIM
ESP

	x	y	z
x	4.227	-0.858	0.000
y	-0.858	3.989	0.000
z	0.000	0.000	5.128

<r²>	72.984
(<r²>)^1/2	8.543

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

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

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