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	hartrees
Energy at 0K	-429.126302
Energy at 298.15K	-429.129358
HF Energy	-429.126302
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1796	1703	534.59
2	A₁	834	791	80.80
3	A₁	579	549	11.75
4	E	981	931	326.38
4	E	981	931	326.48
5	E	579	549	5.11
5	E	579	549	6.82
6	E	416	395	0.47
6	E	416	395	0.47

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.196
O2	0.000	0.000	1.360
F3	0.000	1.260	-0.454
F4	1.091	-0.630	-0.454
F5	-1.091	-0.630	-0.454

	N1	O2	F3	F4	F5
N1		1.1636	1.4177	1.4177	1.4177
O2	1.1636		2.2085	2.2085	2.2085
F3	1.4177	2.2085		2.1818	2.1818
F4	1.4177	2.2085	2.1818		2.1818
F5	1.4177	2.2085	2.1818	2.1818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	N1	F3	117.310	O2	N1	F4	117.310
O2	N1	F5	117.310	F3	N1	F4	100.617
F3	N1	F5	100.617	F4	N1	F5	100.617

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

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

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	0.920
2	O	-0.285
3	F	-0.212
4	F	-0.212
5	F	-0.212

	x	y	z	Total
	0.000	0.000	-0.359	0.359
CHELPG
AIM
ESP

	x	y	z
x	2.489	0.000	0.000
y	0.000	2.489	0.001
z	0.000	0.001	3.059

<r²>	78.903
(<r²>)^1/2	8.883

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

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

States and conformations

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