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	hartrees
Energy at 0K	-380.935938
Energy at 298.15K	-380.940850
HF Energy	-380.935938
Nuclear repulsion energy	188.670882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3389	3322	7.76
2	A₁	1322	1296	189.79
3	A₁	849	832	201.11
4	A₁	637	625	145.59
5	A₁	384	376	3.56
6	A₂	128	125	0.00
7	E	3523	3454	28.48
7	E	3523	3454	28.48
8	E	1674	1642	26.86
8	E	1674	1642	26.86
9	E	1268	1243	339.04
9	E	1268	1243	339.06
10	E	776	761	4.09
10	E	776	761	4.09
11	E	439	430	0.30
11	E	439	430	0.30
12	E	252	247	11.14
12	E	252	247	11.14

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.502
B2	0.000	0.000	-0.244
F3	0.000	1.343	-0.551
F4	1.163	-0.671	-0.551
F5	-1.163	-0.671	-0.551
H6	0.000	-0.957	1.863
H7	0.829	0.478	1.863
H8	-0.829	0.478	1.863

	N1	B2	F3	F4	F5	H6	H7	H8
N1		1.7455	2.4529	2.4529	2.4529	1.0228	1.0228	1.0228
B2	1.7455		1.3775	1.3775	1.3775	2.3142	2.3142	2.3142
F3	2.4529	1.3775		2.3259	2.3259	3.3342	2.6950	2.6950
F4	2.4529	1.3775	2.3259		2.3259	2.6950	2.6950	3.3342
F5	2.4529	1.3775	2.3259	2.3259		2.6950	3.3342	2.6950
H6	1.0228	2.3142	3.3342	2.6950	2.6950		1.6571	1.6571
H7	1.0228	2.3142	2.6950	2.6950	3.3342	1.6571		1.6571
H8	1.0228	2.3142	2.6950	3.3342	2.6950	1.6571	1.6571

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B2	F3	102.883	N1	B2	F4	102.883
N1	B2	F5	102.883	B2	N1	H6	110.707
B2	N1	H7	110.707	B2	N1	H8	110.707
F3	B2	F4	115.178	F3	B2	F5	115.178
F4	B2	F5	115.178	H6	N1	H7	108.207
H6	N1	H8	108.207	H7	N1	H8	108.207

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)

using model chemistry: B97D3/6-31G*

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	-0.856
2	B	0.682
3	F	-0.309
4	F	-0.309
5	F	-0.309
6	H	0.367
7	H	0.367
8	H	0.367

	x	y	z
x	3.065	0.000	0.000
y	0.000	3.065	-0.001
z	0.000	-0.001	3.224

<r²>	101.568
(<r²>)^1/2	10.078

All results from a given calculation for NH3BF3 (Amminetrifluoroboron)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)