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	hartrees
Energy at 0K	-352.485834
Energy at 298.15K	-352.487807
Nuclear repulsion energy	132.784394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1049	1033	40.72
2	A₁	638	629	1.70
3	E	877	864	273.19
3	E	877	864	273.19
4	E	475	468	2.08
4	E	475	468	2.08

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.488
F2	0.000	1.233	-0.127
F3	1.068	-0.617	-0.127
F4	-1.068	-0.617	-0.127

	N1	F2	F3	F4
N1		1.3780	1.3780	1.3780
F2	1.3780		2.1358	2.1358
F3	1.3780	2.1358		2.1358
F4	1.3780	2.1358	2.1358

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	N1	F3	101.604		F2	N1	F4	101.604
F3	N1	F4	101.604

All results from a given calculation for NF₃ (Nitrogen trifluoride)

using model chemistry: LSDA/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	N	0.332
2	F	-0.111
3	F	-0.111
4	F	-0.111

	x	y	z	Total
	0.000	0.000	0.168	0.168
CHELPG
AIM
ESP

	x	y	z
x	2.942	0.000	0.000
y	0.000	2.942	-0.000
z	0.000	-0.000	2.008

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for NF3 (Nitrogen trifluoride)

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

States and conformations

All results from a given calculation for NF₃ (Nitrogen trifluoride)