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	hartrees
Energy at 0K	-229.520063
Energy at 298.15K
HF Energy	-229.520063
Nuclear repulsion energy	64.113647

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'	1885	1863	250.24	9.56	0.27	0.43
2	A'	760	752	165.25	4.25	0.35	0.52
3	A'	494	488	83.47	9.75	0.39	0.56

Atom	x (Å)	y (Å)
F1	-0.973	-0.642
N2	0.000	0.576
O3	1.095	0.219

	F1	N2	O3
F1		1.5593	2.2406
N2	1.5593		1.1518
O3	2.2406	1.1518

Number	Element	Mulliken
1	F	-0.216
2	N	0.025
3	O	0.190

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

using model chemistry: PBEPBE/6-31+G**

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
	1.381	1.061	0.000	1.742
CHELPG
AIM
ESP

	x	y	z
x	3.428	0.748	0.000
y	0.748	2.347	0.000
z	0.000	0.000	1.481

<r²>	34.474
(<r²>)^1/2	5.871