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	hartrees
Energy at 0K	-304.469529
Energy at 298.15K	-304.471051
HF Energy	-304.469529
Nuclear repulsion energy	110.822349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1548	1527	156.35
2	A'	996	983	19.04
3	A'	709	699	2.56
4	A'	535	528	108.55
5	A'	165	163	4.54
6	A"	508	501	0.04

Atom	x (Å)	y (Å)
F1	1.586	0.297
O2	0.000	0.864
N3	-0.956	0.014
O4	-0.948	-1.210

	F1	O2	N3	O4
F1		1.6843	2.5575	2.9474
O2	1.6843		1.2793	2.2799
N3	2.5575	1.2793		1.2236
O4	2.9474	2.2799	1.2236

Number	Element	Mulliken
1	F	-0.193
2	O	-0.031
3	N	0.384
4	O	-0.160

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

using model chemistry: PBEPBE/6-31G

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
	-1.540	0.038	0.000	1.540
CHELPG
AIM
ESP

	x	y	z
x	4.719	1.080	0.000
y	1.080	3.146	0.000
z	0.000	0.000	0.869

<r²>	67.999
(<r²>)^1/2	8.246