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	hartrees
Energy at 0K	-65.848272
Energy at 298.15K	-65.849819
HF Energy	-65.848272
Nuclear repulsion energy	65.032573

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1742	1689	206.24
2	A'	942	913	21.74
3	A'	811	786	66.32
4	A'	468	454	101.02
5	A'	260	252	0.41
6	A"	400	388	0.24

Atom	x (Å)	y (Å)
F1	1.339	0.365
O2	0.000	0.909
N3	-1.004	-0.107
O4	-0.628	-1.226

	F1	O2	N3	O4
F1		1.4452	2.3899	2.5294
O2	1.4452		1.4290	2.2259
N3	2.3899	1.4290		1.1804
O4	2.5294	2.2259	1.1804

Number	Element	Mulliken
1	F	-0.150
2	O	0.032
3	N	0.238
4	O	-0.120

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

using model chemistry: B3LYP/CEP-121G*

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
	-0.703	-0.042	0.000	0.704
CHELPG
AIM
ESP

	x	y	z
x	3.722	0.625	0.000
y	0.625	3.528	0.000
z	0.000	0.000	1.457

<r²>	47.899
(<r²>)^1/2	6.921