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	hartrees
Energy at 0K	-27.166349
Energy at 298.15K	-27.169138
HF Energy	-27.166349
Nuclear repulsion energy	10.333872

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2640	2556	38.12
2	A₁	2115	2048	94.80
3	A₁	1344	1302	47.40
4	A₁	974	943	2.23
5	A₂	776	752	0.00
6	B₁	2756	2668	86.55
7	B₁	1066	1032	1.02
8	B₂	1967	1905	0.49
9	B₂	737	714	0.03

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.147
H2	0.000	0.539	-1.026
H3	0.000	-0.539	-1.026
H4	-1.067	0.000	0.659
H5	1.067	0.000	0.659

	B1	H2	H3	H4	H5
B1		1.2904	1.2904	1.1839	1.1839
H2	1.2904		1.0780	2.0663	2.0663
H3	1.2904	1.0780		2.0663	2.0663
H4	1.1839	2.0663	2.0663		2.1341
H5	1.1839	2.0663	2.0663	2.1341

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	B1	H3	49.381	H2	B1	H4	113.180
H2	B1	H5	113.180	H3	B1	H4	113.180
H3	B1	H5	113.180	H4	B1	H5	128.654

All results from a given calculation for BH₄ (borohydride)

using model chemistry: TPSSh/cc-pVTZ

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	B	-0.254
2	H	0.107
3	H	0.107
4	H	0.020
5	H	0.020

	x	y	z	Total
	0.000	0.000	-1.285	1.285
CHELPG
AIM
ESP

<r²>	11.854
(<r²>)^1/2	3.443

All results from a given calculation for BH4 (borohydride)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for BH₄ (borohydride)