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	hartrees
Energy at 0K	-229.594653
Energy at 298.15K
HF Energy	-229.594653
Nuclear repulsion energy	64.579341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	1887	1872	246.18	9.18	0.20	0.33
2	A'	756	750	151.54	3.34	0.39	0.56
3	A'	497	493	94.90	9.61	0.34	0.51

Atom	x (Å)	y (Å)
F1	-0.964	-0.649
N2	0.000	0.573
O3	1.084	0.228

	F1	N2	O3
F1		1.5562	2.2275
N2	1.5562		1.1375
O3	2.2275	1.1375

Number	Element	Mulliken
1	F	-0.317
2	N	0.403
3	O	-0.086

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

using model chemistry: PBEPBE/6-311+G(3df,2p)

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
	1.397	1.039	0.000	1.741
CHELPG
AIM
ESP

	x	y	z
x	3.463	0.730	0.000
y	0.730	2.538	0.000
z	0.000	0.000	1.716

<r²>	34.121
(<r²>)^1/2	5.841