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	hartrees
Energy at 0K	-381.154024
Energy at 298.15K	-381.159118
HF Energy	-381.154024
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3505	3352	14.70
2	A₁	1335	1277	216.60
3	A₁	876	838	282.91
4	A₁	673	643	119.58
5	A₁	444	425	0.88
6	A₂	110	105	0.00
7	E	3626	3468	49.75
7	E	3626	3468	49.81
8	E	1663	1590	30.03
8	E	1663	1590	30.02
9	E	1244	1190	385.48
9	E	1244	1190	385.76
10	E	811	776	0.29
10	E	811	776	0.29
11	E	443	424	0.92
11	E	443	424	0.91
12	E	276	264	10.64
12	E	276	264	10.63

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.468
B2	0.000	0.000	-0.214
F3	0.000	1.334	-0.543
F4	1.155	-0.667	-0.543
F5	-1.155	-0.667	-0.543
H6	0.000	-0.954	1.817
H7	0.826	0.477	1.817
H8	-0.826	0.477	1.817

	N1	B2	F3	F4	F5	H6	H7	H8
N1		1.6819	2.4125	2.4125	2.4125	1.0156	1.0156	1.0156
B2	1.6819		1.3735	1.3735	1.3735	2.2437	2.2437	2.2437
F3	2.4125	1.3735		2.3100	2.3100	3.2862	2.6426	2.6426
F4	2.4125	1.3735	2.3100		2.3100	2.6426	2.6426	3.2862
F5	2.4125	1.3735	2.3100	2.3100		2.6426	3.2862	2.6426
H6	1.0156	2.2437	3.2862	2.6426	2.6426		1.6519	1.6519
H7	1.0156	2.2437	2.6426	2.6426	3.2862	1.6519		1.6519
H8	1.0156	2.2437	2.6426	3.2862	2.6426	1.6519	1.6519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B2	F3	103.839	N1	B2	F4	103.839
N1	B2	F5	103.839	B2	N1	H6	110.101
B2	N1	H7	110.101	B2	N1	H8	110.101
F3	B2	F4	114.468	F3	B2	F5	114.468
F4	B2	F5	114.468	H6	N1	H7	108.834
H6	N1	H8	108.834	H7	N1	H8	108.834

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)

using model chemistry: wB97X-D/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	-0.431
2	B	0.487
3	F	-0.283
4	F	-0.283
5	F	-0.283
6	H	0.264
7	H	0.264
8	H	0.264

<r²>	99.810
(<r²>)^1/2	9.991

All results from a given calculation for NH3BF3 (Amminetrifluoroboron)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)