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	hartrees
Energy at 0K	-229.609091
Energy at 298.15K
HF Energy	-229.609091
Nuclear repulsion energy	64.595141

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'	1876	1854	236.42	10.57	0.21	0.35
2	A'	769	759	156.76	3.69	0.41	0.59
3	A'	504	498	87.21	9.14	0.41	0.58

Atom	x (Å)	y (Å)
F1	-0.964	-0.645
N2	0.000	0.572
O3	1.085	0.225

	F1	N2	O3
F1		1.5531	2.2265
N2	1.5531		1.1390
O3	2.2265	1.1390

Number	Element	Mulliken
1	F	-0.219
2	N	0.203
3	O	0.016

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

using model chemistry: PBEPBE/Def2TZVPP

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
	1.333	0.968	0.000	1.647
CHELPG
AIM
ESP

	x	y	z
x	3.141	0.718	0.000
y	0.718	2.136	0.000
z	0.000	0.000	1.346

<r²>	33.985
(<r²>)^1/2	5.830