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	hartrees
Energy at 0K	-229.588605
Energy at 298.15K
HF Energy	-229.588605
Nuclear repulsion energy	66.422690

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'	1966	1890	233.13	9.27	0.25	0.39
2	A'	828	796	191.75	3.31	0.48	0.65
3	A'	563	541	130.19	8.99	0.42	0.59

Atom	x (Å)	y (Å)
F1	-0.947	-0.590
N2	0.000	0.552
O3	1.065	0.181

	F1	N2	O3
F1		1.4837	2.1548
N2	1.4837		1.1280
O3	2.1548	1.1280

Number	Element	Mulliken
1	F	-0.240
2	N	0.219
3	O	0.020

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

using model chemistry: HSEh1PBE/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
x	2.810	0.543	0.000
y	0.543	1.795	0.000
z	0.000	0.000	1.170

<r²>	32.306
(<r²>)^1/2	5.684