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	hartrees
Energy at 0K	-304.681494
Energy at 298.15K	-304.682906
HF Energy	-304.410762
Nuclear repulsion energy	116.702470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1785	1785	211.11
2	A'	931	931	3.92
3	A'	794	794	59.46
4	A'	351	351	137.01
5	A'	256	256	8.79
6	A"	387	387	0.29

Atom	x (Å)	y (Å)
F1	1.317	0.373
O2	0.000	0.931
N3	-1.013	-0.145
O4	-0.595	-1.224

	F1	O2	N3	O4
F1		1.4305	2.3876	2.4913
O2	1.4305		1.4781	2.2353
N3	2.3876	1.4781		1.1570
O4	2.4913	2.2353	1.1570

Number	Element	Mulliken
1	F	-0.132
2	O	-0.037
3	N	0.257
4	O	-0.088

All results from a given calculation for FONO (Nitrosyl hypofluorite)

using model chemistry: B2PLYP/6-311G*

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
	-0.801	-0.405	0.000	0.898
CHELPG
AIM
ESP

	x	y	z
x	3.269	0.616	0.000
y	0.616	3.309	0.000
z	0.000	0.000	1.096

<r²>	58.945
(<r²>)^1/2	7.678