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	hartrees
Energy at 0K	-349.631084
Energy at 298.15K	-349.632523
HF Energy	-349.631084
Nuclear repulsion energy	122.731843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	948	898	0.02
2	A	697	660	47.60
3	A	446	422	1.40
4	A	195	185	0.63
5	B	806	763	87.36
6	B	536	508	12.93

Atom	x (Å)	y (Å)	z (Å)
F1	0.600	1.381	-0.498
O2	0.600	0.280	0.560
O3	-0.600	-0.280	0.560
F4	-0.600	-1.381	-0.498

	F1	O2	O3	F4
F1		1.5273	2.3066	3.0116
O2	1.5273		1.3245	2.3066
O3	2.3066	1.3245		1.5273
F4	3.0116	2.3066	1.5273

Number	Element	Mulliken
1	F	-0.124
2	O	0.124
3	O	0.124
4	F	-0.124

All results from a given calculation for FOOF (Perfluoroperoxide)

using model chemistry: mPW1PW91/6-31G

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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	x	y	z	Total
	0.000	0.000	0.782	0.782
CHELPG
AIM
ESP

	x	y	z
x	1.732	1.247	0.000
y	1.247	3.402	0.000
z	0.000	0.000	1.876

<r²>	70.006
(<r²>)^1/2	8.367