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	hartrees
Energy at 0K	-304.756965
Energy at 298.15K	-304.758301
HF Energy	-304.756965
Nuclear repulsion energy	117.982854

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1764	1701	221.26
2	A'	955	921	24.44
3	A'	810	781	76.66
4	A'	390	376	59.15
5	A'	106	102	49.71
6	A"	492	475	0.18

Atom	x (Å)	y (Å)
F1	1.377	0.320
O2	0.000	0.864
N3	-0.955	-0.041
O4	-0.714	-1.189

	F1	O2	N3	O4
F1		1.4810	2.3603	2.5790
O2	1.4810		1.3159	2.1739
N3	2.3603	1.3159		1.1732
O4	2.5790	2.1739	1.1732

Number	Element	Mulliken
1	F	-0.285
2	O	-0.038
3	N	0.638
4	O	-0.315

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

using model chemistry: B3PW91/aug-cc-pVDZ

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
	-0.783	0.282	0.000	0.832
CHELPG
AIM
ESP

	x	y	z
x	4.618	0.727	0.000
y	0.727	3.875	0.000
z	0.000	0.000	2.084

<r²>	58.922
(<r²>)^1/2	7.676