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	hartrees
Energy at 0K	-304.915103
Energy at 298.15K	-304.916668
HF Energy	-304.915103
Nuclear repulsion energy	115.068567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1741	1677	252.13
2	A'	1144	1102	40.45
3	A'	769	741	6.85
4	A'	431	415	179.53
5	A'	195	188	19.71
6	A"	548	528	0.51

Atom	x (Å)	y (Å)
F1	1.526	0.226
O2	0.000	0.850
N3	-0.923	0.040
O4	-0.909	-1.140

	F1	O2	N3	O4
F1		1.6485	2.4559	2.7916
O2	1.6485		1.2285	2.1876
N3	2.4559	1.2285		1.1793
O4	2.7916	2.1876	1.1793

Number	Element	Mulliken
1	F	-0.240
2	O	0.024
3	N	0.365
4	O	-0.149

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

using model chemistry: TPSSh/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
	-1.873	0.285	0.000	1.895
CHELPG
AIM
ESP

	x	y	z
x	4.819	0.858	0.000
y	0.858	3.087	0.000
z	0.000	0.000	1.077

<r²>	63.258
(<r²>)^1/2	7.953