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	hartrees
Energy at 0K	-228.616404
Energy at 298.15K	-228.617318
Nuclear repulsion energy	66.373525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1885	1855	166.15
2	A'	854	840	157.85
3	A'	581	571	65.38

Atom	x (Å)	y (Å)
F1	-0.956	-0.558
N2	0.000	0.546
O3	1.076	0.150

	F1	N2	O3
F1		1.4610	2.1519
N2	1.4610		1.1464
O3	2.1519	1.1464

Number	Element	Mulliken
1	F	-0.154
2	N	0.172
3	O	-0.018

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

using model chemistry: LSDA/6-31G(2df,p)

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
	0.648	0.365	0.000	0.744
CHELPG
AIM
ESP

	x	y	z
x	2.814	0.449	0.000
y	0.449	1.805	0.000
z	0.000	0.000	1.317

<r²>	0.000
(<r²>)^1/2	0.000