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	hartrees
Energy at 0K	-379.513053
Energy at 298.15K	-379.518380
HF Energy	-379.513053
Nuclear repulsion energy	192.619064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3713	3358	19.14
2	A₁	1501	1358	261.56
3	A₁	916	829	311.92
4	A₁	704	637	188.16
5	A₁	452	409	0.27
6	A₂	146	132	0.00
7	E	3826	3460	48.17
7	E	3826	3460	48.17
8	E	1846	1669	35.64
8	E	1846	1669	35.64
9	E	1327	1200	455.25
9	E	1327	1200	455.25
10	E	876	792	0.59
10	E	876	792	0.59
11	E	476	430	2.01
11	E	476	430	2.01
12	E	292	264	11.24
12	E	292	264	11.24

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	1.466
B2	0.000	0.000	-0.219
F3	0.000	1.316	-0.541
F4	1.140	-0.658	-0.541
F5	-1.140	-0.658	-0.541
H6	0.000	-0.939	1.815
H7	0.813	0.469	1.815
H8	-0.813	0.469	1.815

	N1	B2	F3	F4	F5	H6	H7	H8
N1		1.6853	2.4008	2.4008	2.4008	1.0011	1.0011	1.0011
B2	1.6853		1.3553	1.3553	1.3553	2.2396	2.2396	2.2396
F3	2.4008	1.3553		2.2800	2.2800	3.2611	2.6322	2.6322
F4	2.4008	1.3553	2.2800		2.2800	2.6322	2.6322	3.2611
F5	2.4008	1.3553	2.2800	2.2800		2.6322	3.2611	2.6322
H6	1.0011	2.2396	3.2611	2.6322	2.6322		1.6258	1.6258
H7	1.0011	2.2396	2.6322	2.6322	3.2611	1.6258		1.6258
H8	1.0011	2.2396	2.6322	3.2611	2.6322	1.6258	1.6258

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	B2	F3	103.765	N1	B2	F4	103.765
N1	B2	F5	103.765	B2	N1	H6	110.346
B2	N1	H7	110.346	B2	N1	H8	110.346
F3	B2	F4	114.524	F3	B2	F5	114.524
F4	B2	F5	114.524	H6	N1	H7	108.582
H6	N1	H8	108.582	H7	N1	H8	108.582

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)

using model chemistry: HF/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	-0.964
2	B	0.783
3	F	-0.349
4	F	-0.349
5	F	-0.349
6	H	0.409
7	H	0.409
8	H	0.409

<r²>	98.483
(<r²>)^1/2	9.924

All results from a given calculation for NH3BF3 (Amminetrifluoroboron)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for NH₃BF₃ (Amminetrifluoroboron)