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	hartrees
Energy at 0K	-429.427970
Energy at 298.15K	-429.430824
HF Energy	-429.427970
Nuclear repulsion energy	204.238426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1772	1716	516.27
2	A₁	760	736	85.77
3	A₁	530	513	0.10
4	E	883	855	310.12
4	E	883	855	310.12
5	E	520	503	37.89
5	E	519	503	37.90
6	E	389	377	0.37
6	E	389	377	0.37

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.204
O2	0.000	0.000	1.365
F3	0.000	1.278	-0.457
F4	1.107	-0.639	-0.457
F5	-1.107	-0.639	-0.457

	N1	O2	F3	F4	F5
N1		1.1610	1.4387	1.4387	1.4387
O2	1.1610		2.2254	2.2254	2.2254
F3	1.4387	2.2254		2.2134	2.2134
F4	1.4387	2.2254	2.2134		2.2134
F5	1.4387	2.2254	2.2134	2.2134

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	F3	117.348	O2	N1	F4	117.348
O2	N1	F5	117.348	F3	N1	F4	100.570
F3	N1	F5	100.570	F4	N1	F5	100.570

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

using model chemistry: TPSSh/cc-pVTZ

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	0.545
2	O	-0.134
3	F	-0.137
4	F	-0.137
5	F	-0.137

	x	y	z	Total
	0.000	0.000	0.169	0.169
CHELPG
AIM
ESP

<r²>	81.029
(<r²>)^1/2	9.002

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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