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	hartrees
Energy at 0K	-379.333886
Energy at 298.15K	-379.338936
HF Energy	-379.333886
Nuclear repulsion energy	192.178777

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3381	3317	14.36
2	A₁	1290	1265	240.78
3	A₁	918	900	211.48
4	A₁	687	674	79.27
5	A₁	455	446	6.29
6	A₂	131	129	0.00
7	E	3514	3447	51.32
7	E	3514	3447	51.33
8	E	1617	1587	33.24
8	E	1617	1587	33.24
9	E	1318	1293	308.49
9	E	1318	1293	308.54
10	E	796	780	4.41
10	E	796	780	4.41
11	E	439	430	0.21
11	E	439	430	0.21
12	E	255	250	12.99
12	E	255	250	12.99

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.447
B2	0.000	0.000	-0.214
F3	0.000	1.324	-0.536
F4	1.147	-0.662	-0.536
F5	-1.147	-0.662	-0.536
H6	0.000	-0.966	1.800
H7	0.837	0.483	1.800
H8	-0.837	0.483	1.800

	N1	B2	F3	F4	F5	H6	H7	H8
N1		1.6608	2.3843	2.3843	2.3843	1.0285	1.0285	1.0285
B2	1.6608		1.3627	1.3627	1.3627	2.2334	2.2334	2.2334
F3	2.3843	1.3627		2.2934	2.2934	3.2711	2.6196	2.6196
F4	2.3843	1.3627	2.2934		2.2934	2.6196	2.6196	3.2711
F5	2.3843	1.3627	2.2934	2.2934		2.6196	3.2711	2.6196
H6	1.0285	2.2334	3.2711	2.6196	2.6196		1.6732	1.6732
H7	1.0285	2.2334	2.6196	2.6196	3.2711	1.6732		1.6732
H8	1.0285	2.2334	2.6196	3.2711	2.6196	1.6732	1.6732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B2	F3	103.668	N1	B2	F4	103.668
N1	B2	F5	103.668	B2	N1	H6	110.063
B2	N1	H7	110.063	B2	N1	H8	110.063
F3	B2	F4	114.598	F3	B2	F5	114.598
F4	B2	F5	114.598	H6	N1	H7	108.873
H6	N1	H8	108.873	H7	N1	H8	108.873

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)

using model chemistry: SVWN/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	-0.864
2	B	0.430
3	F	-0.249
4	F	-0.249
5	F	-0.249
6	H	0.394
7	H	0.394
8	H	0.394

<r²>	97.926
(<r²>)^1/2	9.896

All results from a given calculation for NH3BF3 (Amminetrifluoroboron)

using model chemistry: SVWN/6-31G*

States and conformations

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)