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	hartrees
Energy at 0K	-304.760533
Energy at 298.15K	-304.762338
HF Energy	-304.760533
Nuclear repulsion energy	119.903335

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1868	1868	194.72
2	A'	1057	1057	15.00
3	A'	872	872	50.61
4	A'	605	605	165.55
5	A'	345	345	0.71
6	A"	406	406	0.28

Atom	x (Å)	y (Å)
F1	1.277	0.343
O2	0.000	0.901
N3	-0.981	-0.107
O4	-0.579	-1.192

	F1	O2	N3	O4
F1		1.3939	2.3025	2.4087
O2	1.3939		1.4065	2.1717
N3	2.3025	1.4065		1.1572
O4	2.4087	2.1717	1.1572

Number	Element	Mulliken
1	F	-0.293
2	O	-0.005
3	N	0.561
4	O	-0.263

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

using model chemistry: M06-2X/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
	-0.552	-0.021	0.000	0.552
CHELPG
AIM
ESP

	x	y	z
x	3.749	0.462	0.000
y	0.462	3.744	0.000
z	0.000	0.000	2.043

<r²>	56.231
(<r²>)^1/2	7.499