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	hartrees
Energy at 0K	-304.792966
Energy at 298.15K	-304.794596
HF Energy	-304.792966
Nuclear repulsion energy	119.040265

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1809	1733	207.12
2	A'	958	918	19.80
3	A'	835	800	94.46
4	A'	490	469	76.42
5	A'	257	247	3.37
6	A"	448	430	0.15

Atom	x (Å)	y (Å)
F1	1.322	0.341
O2	0.000	0.881
N3	-0.970	-0.078
O4	-0.639	-1.195

	F1	O2	N3	O4
F1		1.4280	2.3297	2.4907
O2	1.4280		1.3637	2.1721
N3	2.3297	1.3637		1.1653
O4	2.4907	2.1721	1.1653

Number	Element	Mulliken
1	F	-0.291
2	O	-0.009
3	N	0.608
4	O	-0.308

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

using model chemistry: mPW1PW91/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
	-0.546	0.173	0.000	0.573
CHELPG
AIM
ESP

	x	y	z
x	4.154	0.601	0.000
y	0.601	3.859	0.000
z	0.000	0.000	2.087

<r²>	57.425
(<r²>)^1/2	7.578