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	hartrees
Energy at 0K	-381.062694
Energy at 298.15K	-381.067846
HF Energy	-381.062694
Nuclear repulsion energy	188.011833

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3446	3315	10.76
2	A₁	1427	1373	270.86
3	A₁	893	859	328.26
4	A₁	672	647	75.17
5	A₁	451	434	12.89
6	A₂	154	148	0.00
7	E	3582	3446	48.20
7	E	3582	3446	48.20
8	E	1719	1653	49.29
8	E	1719	1653	49.29
9	E	1284	1235	342.15
9	E	1284	1235	342.20
10	E	883	849	0.27
10	E	883	849	0.27
11	E	430	413	1.43
11	E	429	413	1.44
12	E	263	253	12.16
12	E	263	253	12.16

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.469
B2	0.000	0.000	-0.200
F3	0.000	1.364	-0.544
F4	1.181	-0.682	-0.544
F5	-1.181	-0.682	-0.544
H6	0.000	-0.965	1.803
H7	0.836	0.482	1.803
H8	-0.836	0.482	1.803

	N1	B2	F3	F4	F5	H6	H7	H8
N1		1.6689	2.4319	2.4319	2.4319	1.0208	1.0208	1.0208
B2	1.6689		1.4064	1.4064	1.4064	2.2226	2.2226	2.2226
F3	2.4319	1.4064		2.3617	2.3617	3.3060	2.6426	2.6426
F4	2.4319	1.4064	2.3617		2.3617	2.6426	2.6426	3.3060
F5	2.4319	1.4064	2.3617	2.3617		2.6426	3.3060	2.6426
H6	1.0208	2.2226	3.3060	2.6426	2.6426		1.6710	1.6710
H7	1.0208	2.2226	2.6426	2.6426	3.3060	1.6710		1.6710
H8	1.0208	2.2226	2.6426	3.3060	2.6426	1.6710	1.6710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B2	F3	104.191	N1	B2	F4	104.191
N1	B2	F5	104.191	B2	N1	H6	109.065
B2	N1	H7	109.065	B2	N1	H8	109.065
F3	B2	F4	114.195	F3	B2	F5	114.195
F4	B2	F5	114.195	H6	N1	H7	109.874
H6	N1	H8	109.874	H7	N1	H8	109.874

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)

using model chemistry: B3LYP/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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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	-0.844
2	B	0.865
3	F	-0.381
4	F	-0.381
5	F	-0.381
6	H	0.374
7	H	0.374
8	H	0.374

	x	y	z
x	2.719	0.000	0.000
y	0.000	2.720	-0.000
z	0.000	-0.000	2.528

<r²>	102.218
(<r²>)^1/2	10.110

All results from a given calculation for NH3BF3 (Amminetrifluoroboron)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)