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	hartrees
Energy at 0K	-229.616357
Energy at 298.15K
HF Energy	-229.616357
Nuclear repulsion energy	66.098675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1933	1853	193.37
2	A'	860	824	189.60
3	A'	582	557	75.24

Atom	x (Å)	y (Å)
F1	-0.958	-0.567
N2	0.000	0.551
O3	1.078	0.156

	F1	N2	O3
F1		1.4723	2.1603
N2	1.4723		1.1478
O3	2.1603	1.1478

Number	Element	Mulliken
1	F	-0.267
2	N	0.377
3	O	-0.109

All results from a given calculation for FNO (Nitrosyl fluoride)

using model chemistry: B3PW91/6-31G**

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
	0.737	0.595	0.000	0.947
CHELPG
AIM
ESP

	x	y	z
x	2.664	0.447	0.000
y	0.447	1.569	0.000
z	0.000	0.000	1.036

<r²>	32.229
(<r²>)^1/2	5.677