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	hartrees
Energy at 0K	-304.659509
Energy at 298.15K	-304.661053
HF Energy	-304.659509
Nuclear repulsion energy	118.701121

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1815	1743	230.85
2	A'	955	917	13.72
3	A'	833	799	102.24
4	A'	418	401	88.04
5	A'	246	236	4.27
6	A"	443	426	0.20

Atom	x (Å)	y (Å)
F1	1.332	0.352
O2	0.000	0.880
N3	-0.975	-0.089
O4	-0.645	-1.198

	F1	O2	N3	O4
F1		1.4325	2.3487	2.5126
O2	1.4325		1.3743	2.1755
N3	2.3487	1.3743		1.1570
O4	2.5126	2.1755	1.1570

Number	Element	Mulliken
1	F	-0.124
2	O	0.076
3	N	0.118
4	O	-0.069

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

using model chemistry: HSEh1PBE/TZVP

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
	-0.622	0.037	0.000	0.623
CHELPG
AIM
ESP

	x	y	z
x	3.724	0.602	0.000
y	0.602	3.455	0.000
z	0.000	0.000	1.490

<r²>	57.965
(<r²>)^1/2	7.613