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	hartrees
Energy at 0K	-429.152228
Energy at 298.15K	-429.155243
HF Energy	-429.152228
Nuclear repulsion energy	206.308477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1795	1710	588.64
2	A₁	815	776	97.76
3	A₁	569	542	0.00
4	E	935	890	350.41
4	E	935	890	350.55
5	E	567	540	23.75
5	E	567	540	23.72
6	E	411	392	0.64
6	E	411	392	0.64

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.198
O2	0.000	0.000	1.361
F3	0.000	1.265	-0.455
F4	1.096	-0.633	-0.455
F5	-1.096	-0.633	-0.455

	N1	O2	F3	F4	F5
N1		1.1624	1.4238	1.4238	1.4238
O2	1.1624		2.2129	2.2129	2.2129
F3	1.4238	2.2129		2.1913	2.1913
F4	1.4238	2.2129	2.1913		2.1913
F5	1.4238	2.2129	2.1913	2.1913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	F3	117.307	O2	N1	F4	117.307
O2	N1	F5	117.307	F3	N1	F4	100.621
F3	N1	F5	100.621	F4	N1	F5	100.621

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

using model chemistry: wB97X-D/6-31+G**

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	0.458
2	O	-0.037
3	F	-0.140
4	F	-0.140
5	F	-0.140

	x	y	z	Total
	0.000	0.000	-0.090	0.090
CHELPG
AIM
ESP

	x	y	z
x	3.213	0.000	0.000
y	0.000	3.212	0.001
z	0.000	0.001	3.732

<r²>	79.986
(<r²>)^1/2	8.944

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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