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	hartrees
Energy at 0K	-228.617206
Energy at 298.15K	-228.618100
Nuclear repulsion energy	65.750245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1914	1893	187.82
2	A'	839	829	158.50
3	A'	555	549	62.42

Atom	x (Å)	y (Å)
F1	-0.960	-0.584
N2	0.000	0.554
O3	1.081	0.172

	F1	N2	O3
F1		1.4892	2.1768
N2	1.4892		1.1459
O3	2.1768	1.1459

Number	Element	Mulliken
1	F	-0.196
2	N	0.181
3	O	0.015

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

using model chemistry: LSDA/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
	0.873	0.583	0.000	1.050
CHELPG
AIM
ESP

	x	y	z
x	2.613	0.534	0.000
y	0.534	1.485	0.000
z	0.000	0.000	0.862

<r²>	0.000
(<r²>)^1/2	0.000