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	hartrees
Energy at 0K	-304.679404
Energy at 298.15K	-304.680958
HF Energy	-304.679404
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1724	1724	197.06
2	A'	1146	1146	40.00
3	A'	753	753	6.80
4	A'	446	446	143.29
5	A'	189	189	10.09
6	A"	539	539	0.51

Atom	x (Å)	y (Å)
F1	1.543	0.240
O2	0.000	0.852
N3	-0.929	0.037
O4	-0.923	-1.155

	F1	O2	N3	O4
F1		1.6597	2.4801	2.8334
O2	1.6597		1.2357	2.2097
N3	2.4801	1.2357		1.1929
O4	2.8334	2.2097	1.1929

Number	Element	Mulliken
1	F	-0.224
2	O	-0.024
3	N	0.450
4	O	-0.203

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

using model chemistry: B97D3/6-31G**

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
	-1.687	0.285	0.000	1.711
CHELPG
AIM
ESP

	x	y	z
x	4.709	0.915	0.000
y	0.915	3.152	0.000
z	0.000	0.000	1.268

<r²>	64.068
(<r²>)^1/2	8.004