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	hartrees
Energy at 0K	-701.499275
Energy at 298.15K	-701.499830
HF Energy	-701.499275
Nuclear repulsion energy	161.918124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	726	641	9.13
2	A'	506	447	15.52
3	A'	256	226	4.60
4	A'	209	184	1.08
5	A"	751	663	2.87
6	A"	191	168	0.84

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.400	0.274	0.000
F2	-1.468	0.825	0.000
O3	0.400	-0.755	1.431
O4	0.400	-0.755	-1.431

	Cl1	F2	O3	O4
Cl1		1.9475	1.7633	1.7633
F2	1.9475		2.8346	2.8346
O3	1.7633	2.8346		2.8624
O4	1.7633	2.8346	2.8624

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Cl1	O3	99.496		F2	Cl1	O4	99.496
O3	Cl1	O4	108.522

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

using model chemistry: B1B95/STO-3G

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	0.346
2	F	-0.065
3	O	-0.140
4	O	-0.140

	x	y	z	Total
	0.380	0.942	0.000	1.016
CHELPG
AIM
ESP

	x	y	z
x	2.281	-1.233	0.000
y	-1.233	1.791	0.000
z	0.000	0.000	3.620

<r²>	89.602
(<r²>)^1/2	9.466

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

using model chemistry: B1B95/STO-3G

States and conformations

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