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	hartrees
Energy at 0K	-304.567582
Energy at 298.15K	-304.569224
HF Energy	-304.567582
Nuclear repulsion energy	119.154506

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1809	1739	206.43
2	A'	960	923	20.60
3	A'	837	805	96.46
4	A'	500	481	72.33
5	A'	256	247	4.01
6	A"	454	437	0.14

Atom	x (Å)	y (Å)
F1	1.322	0.338
O2	0.000	0.879
N3	-0.967	-0.074
O4	-0.641	-1.194

	F1	O2	N3	O4
F1		1.4283	2.3259	2.4896
O2	1.4283		1.3579	2.1695
N3	2.3259	1.3579		1.1663
O4	2.4896	2.1695	1.1663

Number	Element	Mulliken
1	F	-0.294
2	O	-0.022
3	N	0.641
4	O	-0.325

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

using model chemistry: PBE1PBE/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
	-0.526	0.202	0.000	0.564
CHELPG
AIM
ESP

	x	y	z
x	4.163	0.600	0.000
y	0.600	3.856	0.000
z	0.000	0.000	2.087

<r²>	57.359
(<r²>)^1/2	7.574