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	hartrees
Energy at 0K	-429.087808
Energy at 298.15K	-429.090462
HF Energy	-429.087808
Nuclear repulsion energy	200.772711

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1800	1769	454.62
2	A₁	712	700	79.50
3	A₁	494	486	0.68
4	E	828	814	295.23
4	E	828	814	295.38
5	E	479	471	52.18
5	E	479	471	52.19
6	E	367	361	0.01
6	E	367	361	0.01

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.214
O2	0.000	0.000	1.378
F3	0.000	1.307	-0.464
F4	1.132	-0.654	-0.464
F5	-1.132	-0.654	-0.464

	N1	O2	F3	F4	F5
N1		1.1634	1.4728	1.4728	1.4728
O2	1.1634		2.2585	2.2585	2.2585
F3	1.4728	2.2585		2.2645	2.2645
F4	1.4728	2.2585	2.2645		2.2645
F5	1.4728	2.2585	2.2645	2.2645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	F3	117.084	O2	N1	F4	117.084
O2	N1	F5	117.084	F3	N1	F4	100.898
F3	N1	F5	100.898	F4	N1	F5	100.898

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

using model chemistry: B97D3/6-31+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	0.300
2	O	0.064
3	F	-0.121
4	F	-0.121
5	F	-0.121

	x	y	z	Total
	0.000	0.000	0.493	0.493
CHELPG
AIM
ESP

	x	y	z
x	3.581	0.000	0.000
y	0.000	3.581	-0.000
z	0.000	-0.000	3.948

<r²>	83.683
(<r²>)^1/2	9.148

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

using model chemistry: B97D3/6-31+G**

States and conformations

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