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	hartrees
Energy at 0K	-429.301292
Energy at 298.15K	-429.304371
HF Energy	-429.301292
Nuclear repulsion energy	207.533613

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1778	1700	595.13
2	A₁	824	788	97.67
3	A₁	582	556	0.01
4	E	944	903	343.58
4	E	944	903	343.72
5	E	576	551	27.60
5	E	576	551	27.56
6	E	422	403	0.62
6	E	422	403	0.62

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.198
O2	0.000	0.000	1.352
F3	0.000	1.259	-0.452
F4	1.090	-0.629	-0.452
F5	-1.090	-0.629	-0.452

	N1	O2	F3	F4	F5
N1		1.1540	1.4166	1.4166	1.4166
O2	1.1540		2.1997	2.1997	2.1997
F3	1.4166	2.1997		2.1803	2.1803
F4	1.4166	2.1997	2.1803		2.1803
F5	1.4166	2.1997	2.1803	2.1803

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/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	0.553
2	O	-0.164
3	F	-0.129
4	F	-0.129
5	F	-0.129

	x	y	z	Total
	0.000	0.000	-0.126	0.126
CHELPG
AIM
ESP

	x	y	z
x	2.770	0.000	0.000
y	0.000	2.769	0.001
z	0.000	0.001	3.300

<r²>	78.930
(<r²>)^1/2	8.884

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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