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	hartrees
Energy at 0K	-348.386271
Energy at 298.15K	-348.388171
HF Energy	-348.386271
Nuclear repulsion energy	133.952277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1176	1066	1.34
2	A	1149	1041	45.44
3	A	571	517	0.21
4	A	225	204	0.58
5	B	1142	1035	88.94
6	B	721	654	11.31

Atom	x (Å)	y (Å)	z (Å)
F1	0.599	1.227	-0.445
O2	0.599	0.254	0.500
O3	-0.599	-0.254	0.500
F4	-0.599	-1.227	-0.445

	F1	O2	O3	F4
F1		1.3560	2.1263	2.7305
O2	1.3560		1.3014	2.1263
O3	2.1263	1.3014		1.3560
F4	2.7305	2.1263	1.3560

Number	Element	Mulliken
1	F	-0.104
2	O	0.104
3	O	0.104
4	F	-0.104

All results from a given calculation for FOOF (Perfluoroperoxide)

using model chemistry: HF/Def2TZVPP

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.000	0.000	0.538	0.538
CHELPG
AIM
ESP

	x	y	z
x	1.925	0.708	0.000
y	0.708	2.874	0.000
z	0.000	0.000	2.119

<r²>	60.077
(<r²>)^1/2	7.751