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	hartrees
Energy at 0K	-708.093150
Energy at 298.15K	-708.094849
HF Energy	-708.093150
Nuclear repulsion energy	191.639909

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1095	1084	61.06
2	A'	641	635	157.12
3	A'	526	521	35.58
4	A'	379	375	1.08
5	A"	1238	1226	197.97
6	A"	327	324	5.92

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.340	0.158	0.000
F2	-1.245	0.816	0.000
O3	0.340	-0.627	1.214
O4	0.340	-0.627	-1.214

	Cl1	F2	O3	O4
Cl1		1.7160	1.4456	1.4456
F2	1.7160		2.4631	2.4631
O3	1.4456	2.4631		2.4278
O4	1.4456	2.4631	2.4278

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.010		F2	Cl1	O4	102.010
O3	Cl1	O4	114.225

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

using model chemistry: SVWN/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	0.844
2	F	-0.258
3	O	-0.293
4	O	-0.293

	x	y	z	Total
	1.450	0.996	0.000	1.759
CHELPG
AIM
ESP

	x	y	z
x	3.294	-0.774	0.000
y	-0.774	3.110	0.000
z	0.000	0.000	4.376

<r²>	71.808
(<r²>)^1/2	8.474

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

using model chemistry: SVWN/cc-pVTZ

States and conformations

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