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	hartrees
Energy at 0K	-229.519185
Energy at 298.15K
HF Energy	-229.519185
Nuclear repulsion energy	66.032806

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'	1980	1904	248.81	8.40	0.20	0.33
2	A'	809	778	193.85	3.26	0.44	0.61
3	A'	549	527	139.16	10.12	0.35	0.52

Atom	x (Å)	y (Å)
F1	-0.951	-0.595
N2	0.000	0.557
O3	1.070	0.182

	F1	N2	O3
F1		1.4944	2.1661
N2	1.4944		1.1339
O3	2.1661	1.1339

Number	Element	Mulliken
1	F	-0.382
2	N	0.618
3	O	-0.236

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

using model chemistry: PBE1PBE/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
	1.174	0.936	0.000	1.501
CHELPG
AIM
ESP

	x	y	z
x	3.256	0.581	0.000
y	0.581	2.306	0.000
z	0.000	0.000	1.623

<r²>	32.765
(<r²>)^1/2	5.724