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	hartrees
Energy at 0K	-304.825676
Energy at 298.15K	-304.827112
HF Energy	-304.825676
Nuclear repulsion energy	117.278046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1750	1678	177.94
2	A'	927	889	16.75
3	A'	817	783	73.25
4	A'	391	375	54.92
5	A'	201	193	7.19
6	A"	447	429	0.22

Atom	x (Å)	y (Å)
F1	1.347	0.338
O2	0.000	0.892
N3	-0.987	-0.076
O4	-0.652	-1.207

	F1	O2	N3	O4
F1		1.4562	2.3701	2.5262
O2	1.4562		1.3823	2.1980
N3	2.3701	1.3823		1.1797
O4	2.5262	2.1980	1.1797

Number	Element	Mulliken
1	F	-0.135
2	O	-0.007
3	N	0.340
4	O	-0.198

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

using model chemistry: TPSSh/6-31G**

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
	-0.466	0.165	0.000	0.494
CHELPG
AIM
ESP

	x	y	z
x	3.511	0.630	0.000
y	0.630	3.214	0.000
z	0.000	0.000	1.289

<r²>	58.370
(<r²>)^1/2	7.640