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	hartrees
Energy at 0K	-710.204496
Energy at 298.15K	-710.206170
HF Energy	-710.204496
Nuclear repulsion energy	189.122400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1088	1046	73.02
2	A'	641	616	155.89
3	A'	522	502	38.20
4	A'	372	358	1.68
5	A"	1229	1181	199.99
6	A"	319	306	9.20

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.341	0.152	0.000
F2	-1.250	0.853	0.000
O3	0.341	-0.641	1.230
O4	0.341	-0.641	-1.230

	Cl1	F2	O3	O4
Cl1		1.7387	1.4632	1.4632
F2	1.7387		2.5051	2.5051
O3	1.4632	2.5051		2.4602
O4	1.4632	2.5051	2.4602

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.617		F2	Cl1	O4	102.617
O3	Cl1	O4	114.427

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

using model chemistry: B1B95/cc-pVDZ

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	1.041
2	F	-0.333
3	O	-0.354
4	O	-0.354

	x	y	z	Total
	1.745	1.159	0.000	2.095
CHELPG
AIM
ESP

	x	y	z
x	2.785	-0.921	0.000
y	-0.921	2.617	0.000
z	0.000	0.000	3.928

<r²>	73.329
(<r²>)^1/2	8.563

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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