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	hartrees
Energy at 0K	-304.532947
Energy at 298.15K	-304.534694
HF Energy	-304.532947
Nuclear repulsion energy	119.911679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1817	1739	168.39
2	A'	997	954	19.44
3	A'	869	832	64.40
4	A'	572	548	86.81
5	A'	299	286	0.46
6	A"	445	426	0.11

Atom	x (Å)	y (Å)
F1	1.293	0.341
O2	0.000	0.885
N3	-0.970	-0.088
O4	-0.606	-1.193

	F1	O2	N3	O4
F1		1.4032	2.3039	2.4419
O2	1.4032		1.3740	2.1647
N3	2.3039	1.3740		1.1633
O4	2.4419	2.1647	1.1633

Number	Element	Mulliken
1	F	-0.152
2	O	-0.005
3	N	0.323
4	O	-0.167

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

using model chemistry: PBE1PBE/6-31G(2df,p)

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
	-0.278	0.209	0.000	0.348
CHELPG
AIM
ESP

	x	y	z
x	3.423	0.541	0.000
y	0.541	3.264	0.000
z	0.000	0.000	1.653

<r²>	56.010
(<r²>)^1/2	7.484