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	hartrees
Energy at 0K	-304.846149
Energy at 298.15K	-304.847617
HF Energy	-304.846149
Nuclear repulsion energy	117.907950

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1752	1690	171.35
2	A'	938	905	16.43
3	A'	825	796	68.84
4	A'	394	380	62.32
5	A'	219	211	6.34
6	A"	441	425	0.11

Atom	x (Å)	y (Å)
F1	1.327	0.348
O2	0.000	0.896
N3	-0.987	-0.092
O4	-0.629	-1.207

	F1	O2	N3	O4
F1		1.4355	2.3554	2.4993
O2	1.4355		1.3961	2.1947
N3	2.3554	1.3961		1.1708
O4	2.4993	2.1947	1.1708

Number	Element	Mulliken
1	F	-0.144
2	O	-0.025
3	N	0.336
4	O	-0.167

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

using model chemistry: TPSSh/6-31G(2df,p)

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
	-0.401	0.122	0.000	0.419
CHELPG
AIM
ESP

	x	y	z
x	3.651	0.629	0.000
y	0.629	3.389	0.000
z	0.000	0.000	1.673

<r²>	57.689
(<r²>)^1/2	7.595