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	hartrees
Energy at 0K	-304.555065
Energy at 298.15K	-304.556636
HF Energy	-304.555065
Nuclear repulsion energy	114.288686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1707	1679	184.86
2	A'	1120	1101	31.51
3	A'	761	748	4.05
4	A'	481	473	151.04
5	A'	185	182	10.14
6	A"	537	529	0.36

Atom	x (Å)	y (Å)
F1	1.518	0.255
O2	0.000	0.857
N3	-0.934	0.029
O4	-0.890	-1.169

	F1	O2	N3	O4
F1		1.6326	2.4618	2.7971
O2	1.6326		1.2481	2.2124
N3	2.4618	1.2481		1.1980
O4	2.7971	2.2124	1.1980

Number	Element	Mulliken
1	F	-0.206
2	O	-0.014
3	N	0.417
4	O	-0.197

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

using model chemistry: PBEPBEultrafine/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
	-1.434	0.297	0.000	1.465
CHELPG
AIM
ESP

	x	y	z
x	4.555	0.902	0.000
y	0.902	3.176	0.000
z	0.000	0.000	1.273

<r²>	63.371
(<r²>)^1/2	7.961