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	hartrees
Energy at 0K	-380.902450
Energy at 298.15K	-380.907582
HF Energy	-380.902450
Nuclear repulsion energy	191.126368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3514	3372	12.86
2	A₁	1374	1318	233.92
3	A₁	882	846	268.71
4	A₁	677	649	115.52
5	A₁	444	426	1.68
6	A₂	140	134	0.00
7	E	3633	3486	41.68
7	E	3633	3486	41.66
8	E	1717	1648	34.17
8	E	1717	1648	34.17
9	E	1256	1206	380.17
9	E	1256	1206	380.21
10	E	822	788	0.57
10	E	822	788	0.57
11	E	443	425	0.88
11	E	443	425	0.88
12	E	272	261	10.90
12	E	272	261	10.90

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.464
B2	0.000	0.000	-0.215
F3	0.000	1.331	-0.541
F4	1.153	-0.666	-0.541
F5	-1.153	-0.666	-0.541
H6	0.000	-0.952	1.814
H7	0.824	0.476	1.814
H8	-0.824	0.476	1.814

	N1	B2	F3	F4	F5	H6	H7	H8
N1		1.6784	2.4066	2.4066	2.4066	1.0144	1.0144	1.0144
B2	1.6784		1.3707	1.3707	1.3707	2.2412	2.2412	2.2412
F3	2.4066	1.3707		2.3058	2.3058	3.2804	2.6381	2.6381
F4	2.4066	1.3707	2.3058		2.3058	2.6381	2.6381	3.2804
F5	2.4066	1.3707	2.3058	2.3058		2.6381	3.2804	2.6381
H6	1.0144	2.2412	3.2804	2.6381	2.6381		1.6487	1.6487
H7	1.0144	2.2412	2.6381	2.6381	3.2804	1.6487		1.6487
H8	1.0144	2.2412	2.6381	3.2804	2.6381	1.6487	1.6487

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B2	F3	103.778	N1	B2	F4	103.778
N1	B2	F5	103.778	B2	N1	H6	110.220
B2	N1	H7	110.220	B2	N1	H8	110.220
F3	B2	F4	114.514	F3	B2	F5	114.514
F4	B2	F5	114.514	H6	N1	H7	108.712
H6	N1	H8	108.712	H7	N1	H8	108.712

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)

using model chemistry: HSEh1PBE/6-311G*

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	-0.922
2	B	0.539
3	F	-0.274
4	F	-0.274
5	F	-0.274
6	H	0.402
7	H	0.402
8	H	0.402

<r²>	99.497
(<r²>)^1/2	9.975

All results from a given calculation for NH3BF3 (Amminetrifluoroboron)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)