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	hartrees
Energy at 0K	-710.131094
Energy at 298.15K	-710.132527
HF Energy	-710.131094
Nuclear repulsion energy	184.151851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	992	975	61.25
2	A'	541	532	121.75
3	A'	471	462	49.28
4	A'	325	319	2.53
5	A"	1126	1107	185.34
6	A"	273	268	6.40

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.355	0.139	0.000
F2	-1.302	0.901	0.000
O3	0.355	-0.655	1.255
O4	0.355	-0.655	-1.255

	Cl1	F2	O3	O4
Cl1		1.8233	1.4853	1.4853
F2	1.8233		2.5961	2.5961
O3	1.4853	2.5961		2.5106
O4	1.4853	2.5961	2.5106

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.902		F2	Cl1	O4	102.902
O3	Cl1	O4	115.369

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

using model chemistry: B97D3/6-31+G**

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	1.064
2	F	-0.364
3	O	-0.350
4	O	-0.350

	x	y	z	Total
	2.135	0.739	0.000	2.259
CHELPG
AIM
ESP

	x	y	z
x	4.061	-1.149	0.000
y	-1.149	3.843	0.000
z	0.000	0.000	5.334

<r²>	77.378
(<r²>)^1/2	8.796

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

using model chemistry: B97D3/6-31+G**

States and conformations

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