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	hartrees
Energy at 0K	-304.838064
Energy at 298.15K	-304.839420
HF Energy	-304.838064
Nuclear repulsion energy	117.003084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1754	1692	228.38
2	A'	918	885	19.11
3	A'	793	765	97.53
4	A'	376	362	54.45
5	A'	158	152	24.88
6	A"	458	441	0.22

Atom	x (Å)	y (Å)
F1	1.379	0.332
O2	0.000	0.878
N3	-0.975	-0.058
O4	-0.699	-1.201

	F1	O2	N3	O4
F1		1.4830	2.3859	2.5820
O2	1.4830		1.3507	2.1925
N3	2.3859	1.3507		1.1761
O4	2.5820	2.1925	1.1761

Number	Element	Mulliken
1	F	-0.141
2	O	0.230
3	N	-0.127
4	O	0.039

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

using model chemistry: B3LYP/6-31+G**

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
	-0.831	0.161	0.000	0.847
CHELPG
AIM
ESP

	x	y	z
x	4.418	0.714	0.000
y	0.714	3.822	0.000
z	0.000	0.000	1.846

<r²>	59.697
(<r²>)^1/2	7.726