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	hartrees
Energy at 0K	-429.456359
Energy at 298.15K	-429.459247
HF Energy	-429.456359
Nuclear repulsion energy	204.854948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1774	1708	548.36
2	A₁	769	741	92.71
3	A₁	542	521	0.34
4	E	889	855	318.35
4	E	889	855	318.38
5	E	528	509	41.48
5	E	528	509	41.47
6	E	398	383	0.44
6	E	398	383	0.44

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.201
O2	0.000	0.000	1.359
F3	0.000	1.276	-0.455
F4	1.105	-0.638	-0.455
F5	-1.105	-0.638	-0.455

	N1	O2	F3	F4	F5
N1		1.1573	1.4350	1.4350	1.4350
O2	1.1573		2.2176	2.2176	2.2176
F3	1.4350	2.2176		2.2102	2.2102
F4	1.4350	2.2176	2.2102		2.2102
F5	1.4350	2.2176	2.2102	2.2102

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	F3	117.219	O2	N1	F4	117.219
O2	N1	F5	117.219	F3	N1	F4	100.730
F3	N1	F5	100.730	F4	N1	F5	100.730

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

using model chemistry: B3LYP/Def2TZVPP

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	0.519
2	O	-0.165
3	F	-0.118
4	F	-0.118
5	F	-0.118

	x	y	z	Total
	0.000	0.000	0.143	0.143
CHELPG
AIM
ESP

<r²>	80.906
(<r²>)^1/2	8.995

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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