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	hartrees
Energy at 0K	-98.041867
Energy at 298.15K	-98.044601
Nuclear repulsion energy	113.371386

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1639	1569	447.92
2	A₁	754	722	68.25
3	A₁	496	475	1.58
4	E	880	843	321.20
4	E	878	841	322.12
5	E	523	501	5.82
5	E	523	501	5.66
6	E	357	342	0.63
6	E	357	341	0.65

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.210
O2	0.000	0.000	1.421
F3	0.000	1.319	-0.476
F4	1.143	-0.660	-0.476
F5	-1.143	-0.660	-0.476

	N1	O2	F3	F4	F5
N1		1.2113	1.4868	1.4868	1.4868
O2	1.2113		2.3105	2.3105	2.3105
F3	1.4868	2.3105		2.2854	2.2854
F4	1.4868	2.3105	2.2854		2.2854
F5	1.4868	2.3105	2.2854	2.2854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	F3	117.449	O2	N1	F4	117.449
O2	N1	F5	117.449	F3	N1	F4	100.445
F3	N1	F5	100.445	F4	N1	F5	100.445

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

using model chemistry: B1B95/CEP-31G

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	0.019
2	O	0.117
3	F	-0.045
4	F	-0.045
5	F	-0.045

	x	y	z	Total
	0.000	0.000	0.277	0.277
CHELPG
AIM
ESP

	x	y	z
x	2.790	0.000	0.000
y	0.000	2.791	-0.000
z	0.000	-0.000	3.443

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G

States and conformations

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