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	hartrees
Energy at 0K	-381.055579
Energy at 298.15K	-381.060812
HF Energy	-381.055579
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3505	3505	15.56
2	A₁	1463	1463	321.36
3	A₁	906	906	379.85
4	A₁	676	676	26.57
5	A₁	472	472	30.72
6	A₂	191	191	0.00
7	E	3656	3656	62.02
7	E	3656	3656	62.00
8	E	1712	1712	49.40
8	E	1712	1712	49.43
9	E	1229	1229	419.72
9	E	1229	1229	419.84
10	E	904	904	4.23
10	E	904	904	4.15
11	E	413	413	1.66
11	E	413	413	1.67
12	E	278	278	13.15
12	E	278	278	13.14

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.461
B2	0.000	0.000	-0.182
F3	0.000	1.367	-0.544
F4	1.184	-0.683	-0.544
F5	-1.184	-0.683	-0.544
H6	0.000	-0.966	1.789
H7	0.837	0.483	1.789
H8	-0.837	0.483	1.789

	N1	B2	F3	F4	F5	H6	H7	H8
N1		1.6426	2.4259	2.4259	2.4259	1.0204	1.0204	1.0204
B2	1.6426		1.4138	1.4138	1.4138	2.1950	2.1950	2.1950
F3	2.4259	1.4138		2.3672	2.3672	3.2990	2.6310	2.6310
F4	2.4259	1.4138	2.3672		2.3672	2.6310	2.6310	3.2990
F5	2.4259	1.4138	2.3672	2.3672		2.6310	3.2990	2.6310
H6	1.0204	2.1950	3.2990	2.6310	2.6310		1.6733	1.6733
H7	1.0204	2.1950	2.6310	2.6310	3.2990	1.6733		1.6733
H8	1.0204	2.1950	2.6310	3.2990	2.6310	1.6733	1.6733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B2	F3	104.823	N1	B2	F4	104.823
N1	B2	F5	104.823	B2	N1	H6	108.773
B2	N1	H7	108.773	B2	N1	H8	108.773
F3	B2	F4	113.692	F3	B2	F5	113.692
F4	B2	F5	113.692	H6	N1	H7	110.160
H6	N1	H8	110.160	H7	N1	H8	110.160

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)

using model chemistry: wB97X-D/SDD

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	-0.773
2	B	0.517
3	F	-0.325
4	F	-0.325
5	F	-0.325
6	H	0.410
7	H	0.410
8	H	0.410

	x	y	z
x	2.894	0.000	0.000
y	0.000	2.895	-0.000
z	0.000	-0.000	2.706

<r²>	102.600
(<r²>)^1/2	10.129

All results from a given calculation for NH3BF3 (Amminetrifluoroboron)

using model chemistry: wB97X-D/SDD

States and conformations

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)