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	hartrees
Energy at 0K	-710.229275
Energy at 298.15K	-710.230940
HF Energy	-710.229275
Nuclear repulsion energy	190.026743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1087	1037	81.15
2	A'	619	590	157.02
3	A'	531	507	54.09
4	A'	375	358	1.79
5	A"	1230	1174	229.49
6	A"	321	306	10.18

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.344	0.148	0.000
F2	-1.262	0.846	0.000
O3	0.344	-0.633	1.219
O4	0.344	-0.633	-1.219

	Cl1	F2	O3	O4
Cl1		1.7513	1.4476	1.4476
F2	1.7513		2.5006	2.5006
O3	1.4476	2.5006		2.4376
O4	1.4476	2.5006	2.4376

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	102.415		F2	Cl1	O4	102.415
O3	Cl1	O4	114.690

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

using model chemistry: mPW1PW91/6-311G*

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	1.116
2	F	-0.362
3	O	-0.377
4	O	-0.377

	x	y	z	Total
	1.926	1.126	0.000	2.231
CHELPG
AIM
ESP

	x	y	z
x	2.950	-0.940	0.000
y	-0.940	2.725	0.000
z	0.000	0.000	4.019

<r²>	73.354
(<r²>)^1/2	8.565

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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