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	hartrees
Energy at 0K	-303.153965
Energy at 298.15K	-303.155458
HF Energy	-303.153965
Nuclear repulsion energy	112.727567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1480	1433	138.96
2	A'	1045	1013	7.67
3	A'	736	713	36.28
4	A'	564	547	60.75
5	A'	226	219	0.07
6	A"	333	323	0.33

Atom	x (Å)	y (Å)
F1	1.315	0.352
O2	0.000	1.014
N3	-1.071	-0.175
O4	-0.542	-1.255

	F1	O2	N3	O4
F1		1.4719	2.4431	2.4553
O2	1.4719		1.6002	2.3327
N3	2.4431	1.6002		1.2027
O4	2.4553	2.3327	1.2027

Number	Element	Mulliken
1	F	-0.087
2	O	-0.050
3	N	0.332
4	O	-0.195

All results from a given calculation for FONO (Nitrosyl hypofluorite)

using model chemistry: TPSSh/3-21G

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
	-0.726	-0.338	0.000	0.801
CHELPG
AIM
ESP

	x	y	z
x	3.007	0.555	0.000
y	0.555	3.107	0.000
z	0.000	0.000	0.656

<r²>	60.720
(<r²>)^1/2	7.792