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	hartrees
Energy at 0K	-708.402316
Energy at 298.15K	-708.404323
HF Energy	-708.402316
Nuclear repulsion energy	197.123210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1151	1046	114.50
2	A'	758	689	293.89
3	A'	622	565	61.65
4	A'	472	428	1.55
5	A"	1298	1179	311.63
6	A"	426	387	20.69

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.322	0.164	0.000
F2	-1.179	0.788	0.000
O3	0.322	-0.617	1.192
O4	0.322	-0.617	-1.192

	Cl1	F2	O3	O4
Cl1		1.6251	1.4248	1.4248
F2	1.6251		2.3761	2.3761
O3	1.4248	2.3761		2.3831
O4	1.4248	2.3761	2.3831

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.155		F2	Cl1	O4	102.155
O3	Cl1	O4	113.495

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

using model chemistry: HF/TZVP

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	1.152
2	F	-0.294
3	O	-0.429
4	O	-0.429

	x	y	z	Total
	1.439	2.007	0.000	2.470
CHELPG
AIM
ESP

	x	y	z
x	2.796	-0.758	0.000
y	-0.758	2.734	0.000
z	0.000	0.000	3.804

<r²>	69.116
(<r²>)^1/2	8.314

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

using model chemistry: HF/TZVP

States and conformations

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