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	hartrees
Energy at 0K	-349.740190
Energy at 298.15K	-349.741787
HF Energy	-349.740190
Nuclear repulsion energy	127.357004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1182	1132	19.14
2	A	727	696	63.60
3	A	488	468	14.50
4	A	224	215	0.37
5	B	778	745	119.55
6	B	587	563	50.18

Atom	x (Å)	y (Å)	z (Å)
F1	0.557	1.355	-0.482
O2	0.557	0.272	0.543
O3	-0.557	-0.272	0.543
F4	-0.557	-1.355	-0.482

	F1	O2	O3	F4
F1		1.4912	2.2220	2.9300
O2	1.4912		1.2390	2.2220
O3	2.2220	1.2390		1.4912
F4	2.9300	2.2220	1.4912

Number	Element	Mulliken
1	F	-0.146
2	O	0.146
3	O	0.146
4	F	-0.146

All results from a given calculation for FOOF (Perfluoroperoxide)

using model chemistry: mPW1PW91/cc-pVDZ

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	1.035	1.035
CHELPG
AIM
ESP

	x	y	z
x	1.649	1.098	0.000
y	1.098	3.308	0.000
z	0.000	0.000	1.856

<r²>	66.146
(<r²>)^1/2	8.133