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	hartrees
Energy at 0K	-349.649928
Energy at 298.15K	-349.651559
HF Energy	-349.649928
Nuclear repulsion energy	127.883246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1195	1150	22.20
2	A	730	702	75.76
3	A	496	477	22.27
4	A	237	228	0.13
5	B	778	748	158.21
6	B	593	570	70.97

Atom	x (Å)	y (Å)	z (Å)
F1	0.551	1.358	-0.477
O2	0.551	0.272	0.537
O3	-0.551	-0.272	0.537
F4	-0.551	-1.358	-0.477

	F1	O2	O3	F4
F1		1.4858	2.2138	2.9307
O2	1.4858		1.2294	2.2138
O3	2.2138	1.2294		1.4858
F4	2.9307	2.2138	1.4858

Number	Element	Mulliken
1	F	-0.203
2	O	0.203
3	O	0.203
4	F	-0.203

All results from a given calculation for FOOF (Perfluoroperoxide)

using model chemistry: HSEh1PBE/aug-cc-pVTZ

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	1.160	1.160
CHELPG
AIM
ESP

	x	y	z
x	2.690	1.080	0.000
y	1.080	4.465	0.000
z	0.000	0.000	2.864

<r²>	66.233
(<r²>)^1/2	8.138