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	hartrees
Energy at 0K	-304.584651
Energy at 298.15K	-304.586236
HF Energy	-304.584651
Nuclear repulsion energy	113.478376

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1749	1738	194.86
2	A'	1187	1180	51.28
3	A'	747	742	11.39
4	A'	491	489	130.96
5	A'	175	174	6.92
6	A"	544	541	0.46

Atom	x (Å)	y (Å)
F1	1.569	0.227
O2	0.000	0.851
N3	-0.924	0.045
O4	-0.957	-1.146

	F1	O2	N3	O4
F1		1.6885	2.4993	2.8753
O2	1.6885		1.2259	2.2150
N3	2.4993	1.2259		1.1920
O4	2.8753	2.2150	1.1920

Number	Element	Mulliken
1	F	-0.233
2	O	0.045
3	N	0.276
4	O	-0.088

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

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
	-1.990	0.242	0.000	2.005
CHELPG
AIM
ESP

	x	y	z
x	4.710	0.925	0.000
y	0.925	2.986	0.000
z	0.000	0.000	1.009

<r²>	65.133
(<r²>)^1/2	8.070