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	hartrees
Energy at 0K	-427.490325
Energy at 298.15K	-427.493818
HF Energy	-427.490325
Nuclear repulsion energy	214.530404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1618	1470	788.65
2	A₁	959	872	110.05
3	A₁	696	632	0.42
4	E	1169	1062	401.95
4	E	1169	1062	401.95
5	E	696	632	1.42
5	E	696	632	1.42
6	E	498	452	0.97
6	E	498	452	0.97

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.162
O2	0.000	0.000	1.325
F3	0.000	1.209	-0.435
F4	1.047	-0.605	-0.435
F5	-1.047	-0.605	-0.435

	N1	O2	F3	F4	F5
N1		1.1630	1.3489	1.3489	1.3489
O2	1.1630		2.1357	2.1357	2.1357
F3	1.3489	2.1357		2.0948	2.0948
F4	1.3489	2.1357	2.0948		2.0948
F5	1.3489	2.1357	2.0948	2.0948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	F3	116.279	O2	N1	F4	116.279
O2	N1	F5	116.279	F3	N1	F4	101.886
F3	N1	F5	101.886	F4	N1	F5	101.886

All results from a given calculation for F₃NO (Nitrogen trifluoride oxide)

using model chemistry: HF/TZVP

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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Number	Element	Mulliken
1	N	0.533
2	O	-0.246
3	F	-0.096
4	F	-0.096
5	F	-0.096

	x	y	z	Total
	0.000	0.000	-1.192	1.192
CHELPG
AIM
ESP

<r²>	75.149
(<r²>)^1/2	8.669

All results from a given calculation for F3NO (Nitrogen trifluoride oxide)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for F₃NO (Nitrogen trifluoride oxide)