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	hartrees
Energy at 0K	-304.950225
Energy at 298.15K	-304.951635
HF Energy	-304.950225
Nuclear repulsion energy	117.482859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1780	1722	223.82
2	A'	937	906	17.51
3	A'	816	789	79.48
4	A'	342	331	91.28
5	A'	226	219	13.11
6	A"	417	404	0.18

Atom	x (Å)	y (Å)
F1	1.337	0.369
O2	0.000	0.898
N3	-0.993	-0.114
O4	-0.634	-1.213

	F1	O2	N3	O4
F1		1.4374	2.3797	2.5275
O2	1.4374		1.4182	2.2043
N3	2.3797	1.4182		1.1561
O4	2.5275	2.2043	1.1561

Number	Element	Mulliken
1	F	-0.208
2	O	0.047
3	N	0.364
4	O	-0.203

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

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
	-0.699	-0.101	0.000	0.707
CHELPG
AIM
ESP

	x	y	z
x	4.314	0.658	0.000
y	0.658	4.065	0.000
z	0.000	0.000	2.218

<r²>	58.924
(<r²>)^1/2	7.676