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	hartrees
Energy at 0K	-229.392999
Energy at 298.15K
HF Energy	-229.392999
Nuclear repulsion energy	64.184144

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'	1819	1739	197.38	9.44	0.30	0.46
2	A'	804	768	173.72	5.89	0.36	0.53
3	A'	547	523	40.18	7.91	0.49	0.66

Atom	x (Å)	y (Å)
F1	-0.979	-0.618
N2	0.000	0.571
O3	1.101	0.195

	F1	N2	O3
F1		1.5400	2.2327
N2	1.5400		1.1634
O3	2.2327	1.1634

Number	Element	Mulliken
1	F	-0.277
2	N	0.394
3	O	-0.117

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

using model chemistry: PBE1PBE/6-31G

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
	0.973	0.886	0.000	1.316
CHELPG
AIM
ESP

	x	y	z
x	2.724	0.610	0.000
y	0.610	1.482	0.000
z	0.000	0.000	0.746

<r²>	34.183
(<r²>)^1/2	5.847