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	hartrees
Energy at 0K	-304.649387
Energy at 298.15K	-304.650960
HF Energy	-304.649387
Nuclear repulsion energy	113.124976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1768	1749	214.59
2	A'	1215	1203	69.59
3	A'	735	728	20.16
4	A'	480	475	128.01
5	A'	179	177	6.33
6	A"	541	536	0.48

Atom	x (Å)	y (Å)
F1	1.597	0.190
O2	0.000	0.855
N3	-0.916	0.062
O4	-0.995	-1.122

	F1	O2	N3	O4
F1		1.7296	2.5162	2.9052
O2	1.7296		1.2115	2.2133
N3	2.5162	1.2115		1.1868
O4	2.9052	2.2133	1.1868

Number	Element	Mulliken
1	F	-0.268
2	O	0.033
3	N	0.346
4	O	-0.111

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

using model chemistry: PBEPBEultrafine/6-311G*

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
	-2.362	0.245	0.000	2.374
CHELPG
AIM
ESP

	x	y	z
x	5.097	0.909	0.000
y	0.909	3.083	0.000
z	0.000	0.000	1.078

<r²>	66.159
(<r²>)^1/2	8.134