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	hartrees
Energy at 0K	-229.645708
Energy at 298.15K
HF Energy	-229.645708
Nuclear repulsion energy	64.126376

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'	1903	1903	255.16	9.50	0.20	0.33
2	A'	748	748	151.01	3.83	0.36	0.53
3	A'	484	484	89.95	9.96	0.34	0.50

Atom	x (Å)	y (Å)
F1	-0.968	-0.662
N2	0.000	0.579
O3	1.089	0.238

	F1	N2	O3
F1		1.5735	2.2453
N2	1.5735		1.1411
O3	2.2453	1.1411

Number	Element	Mulliken
1	F	-0.357
2	N	0.534
3	O	-0.177

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

using model chemistry: B97D3/aug-cc-pVDZ

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
	1.481	1.162	0.000	1.883
CHELPG
AIM
ESP

	x	y	z
x	3.489	0.770	0.000
y	0.770	2.571	0.000
z	0.000	0.000	1.698

<r²>	34.481
(<r²>)^1/2	5.872