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	hartrees
Energy at 0K	-304.838066
Energy at 298.15K	-304.839434
HF Energy	-304.838066
Nuclear repulsion energy	117.013619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1755	1690	227.96
2	A'	918	884	19.01
3	A'	794	764	98.03
4	A'	377	362	54.95
5	A'	165	159	23.53
6	A"	457	440	0.22

Atom	x (Å)	y (Å)
F1	1.378	0.333
O2	0.000	0.878
N3	-0.975	-0.058
O4	-0.697	-1.201

	F1	O2	N3	O4
F1		1.4820	2.3855	2.5804
O2	1.4820		1.3520	2.1927
N3	2.3855	1.3520		1.1760
O4	2.5804	2.1927	1.1760

Number	Element	Mulliken
1	F	-0.141
2	O	0.229
3	N	-0.127
4	O	0.039

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

using model chemistry: B3LYPultrafine/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
	-0.826	0.158	0.000	0.841
CHELPG
AIM
ESP

	x	y	z
x	4.408	0.712	0.000
y	0.712	3.822	0.000
z	0.000	0.000	1.846

<r²>	59.674
(<r²>)^1/2	7.725