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	hartrees
Energy at 0K	-304.710764
Energy at 298.15K	-304.712561
HF Energy	-304.710764
Nuclear repulsion energy	119.648656

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1875	1785	206.33
2	A'	1052	1001	16.19
3	A'	870	828	54.27
4	A'	621	591	166.31
5	A'	343	326	0.81
6	A"	405	385	0.32

Atom	x (Å)	y (Å)
F1	1.285	0.338
O2	0.000	0.900
N3	-0.982	-0.100
O4	-0.587	-1.192

	F1	O2	N3	O4
F1		1.4024	2.3083	2.4168
O2	1.4024		1.4010	2.1719
N3	2.3083	1.4010		1.1609
O4	2.4168	2.1719	1.1609

Number	Element	Mulliken
1	F	-0.115
2	O	0.178
3	N	-0.108
4	O	0.046

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

using model chemistry: M06-2X/6-31+G**

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
	-0.588	-0.005	0.000	0.588
CHELPG
AIM
ESP

	x	y	z
x	3.596	0.446	0.000
y	0.446	3.613	0.000
z	0.000	0.000	1.792

<r²>	56.483
(<r²>)^1/2	7.516