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	hartrees
Energy at 0K	-426.525483
Energy at 298.15K	-426.528252
HF Energy	-426.525483
Nuclear repulsion energy	198.797400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1530	1474	343.97
2	A₁	769	740	28.89
3	A₁	480	463	2.73
4	E	974	938	247.62
4	E	974	938	247.66
5	E	535	515	0.06
5	E	535	515	0.06
6	E	343	331	0.52
6	E	343	331	0.52

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.215
O2	0.000	0.000	1.412
F3	0.000	1.310	-0.474
F4	1.134	-0.655	-0.474
F5	-1.134	-0.655	-0.474

	N1	O2	F3	F4	F5
N1		1.1964	1.4802	1.4802	1.4802
O2	1.1964		2.2959	2.2959	2.2959
F3	1.4802	2.2959		2.2689	2.2689
F4	1.4802	2.2959	2.2689		2.2689
F5	1.4802	2.2959	2.2689	2.2689

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	F3	117.748	O2	N1	F4	117.748
O2	N1	F5	117.748	F3	N1	F4	100.070
F3	N1	F5	100.070	F4	N1	F5	100.070

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

using model chemistry: HSEh1PBE/3-21G

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	0.631
2	O	-0.240
3	F	-0.130
4	F	-0.130
5	F	-0.130

	x	y	z	Total
	0.000	0.000	-0.023	0.023
CHELPG
AIM
ESP

	x	y	z
x	2.146	0.000	0.000
y	0.000	2.146	-0.000
z	0.000	-0.000	2.736

<r²>	84.343
(<r²>)^1/2	9.184

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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