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	hartrees
Energy at 0K	-229.693217
Energy at 298.15K
HF Energy	-229.440379
Nuclear repulsion energy	65.041949

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'	1910	1831	251.48	8.39	0.19	0.32
2	A'	758	727	171.43	3.81	0.32	0.48
3	A'	501	481	134.32	12.75	0.29	0.45

Atom	x (Å)	y (Å)
F1	-0.955	-0.646
N2	0.000	0.572
O3	1.075	0.227

	F1	N2	O3
F1		1.5479	2.2096
N2	1.5479		1.1284
O3	2.2096	1.1284

Number	Element	Mulliken
1	F	-0.319
2	N	0.381
3	O	-0.061

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

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVTZ

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
	1.569	1.224	0.000	1.990
CHELPG
AIM
ESP

	x	y	z
x	3.450	0.732	-0.000
y	0.732	2.537	0.000
z	-0.000	0.000	1.741

<r²>	33.796
(<r²>)^1/2	5.813